SCHEMBL12306241

SCHEMBL12306241

CCOC(=O)OC(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SOAT1 P35610 1/20 0.46
GRM1 Q13255 1/20 0.40
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 1/20 0.33
THRB P10828 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19500212 1.00 ALDH1A1 (0.50) ALDH1A1SOAT1GRM1MMP8LMNA
SCHEMBL20051874 0.83 GRM1 (0.48) ALDH1A1GRM1LMNAHSD17B10
SCHEMBL18050548 0.82 ALDH1A1 (0.44) ALDH1A1SOAT1GRM1MMP8LMNA
SCHEMBL607855 0.81 TSHR (0.35) GRM1
SCHEMBL20235876 0.81 ALDH1A1 (0.48) ALDH1A1SOAT1MMP8LMNAHSD17B10
SCHEMBL18067516 0.81 TSHR (0.41) ALDH1A1GRM1LMNA
SCHEMBL20051875 0.80 ALDH1A1 (0.45) ALDH1A1GRM1LMNA
SCHEMBL14892165 0.80 ALDH1A1 (0.52) ALDH1A1SOAT1MMP8LMNAHSD17B10
SCHEMBL19500206 0.79 GRM1 (0.35) ALDH1A1GRM1
SCHEMBL18050599 0.79 ALDH1A1 (0.41) ALDH1A1SOAT1GRM1MMP8LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20230286928-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2023-09-14 US disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
US-20180162829-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2018-06-14 US disclosed
US-20180086730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2018-03-29 US disclosed
US-9845305-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2017-12-19 US disclosed
US-9776982-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2017-10-03 US disclosed
US-20170081303-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2017-03-23 US disclosed
US-20160368889-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2016-12-22 US disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
US-20150166503-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2015-06-18 US disclosed
US-20140256730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. (US) 2014-09-11 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-7595402-B2 Prodrugs of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2009-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2455/4885SOAT1 3195/4885GRM1 958/4885
US-20150166503-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2468/4885SOAT1 2951/4885GRM1 1373/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 ALDH1A1 1693/4885SOAT1 761/4885GRM1 716/4885
US-20170081303-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885
US-20180086730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 ALDH1A1 1621/4885SOAT1 767/4885GRM1 666/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 ALDH1A1 1693/4885SOAT1 761/4885GRM1 716/4885
US-20160368889-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885
US-20180162829-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2395/4885SOAT1 4032/4885GRM1 1996/4885
US-20230286928-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR2, LPAR4 ALDH1A1 2298/4885SOAT1 422/4885GRM1 691/4885
US-20140256730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ALDH1A1 1619/4885SOAT1 3407/4885GRM1 2955/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.