SCHEMBL10087802

SCHEMBL10087802

CC/C=C\C/C=C\C/C=C\CCCCCCCCOC(=O)OCC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
CYP19A1 P11511 3/20 0.49
MAPT P10636 2/20 0.49
NR1I2 O75469 2/20 0.49
PTGS2 P35354 2/20 0.49
OXER1 Q8TDS5 2/20 0.49
PTGS1 P23219 2/20 0.49
PPARG P37231 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL10087803 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL25484380 0.91 MGLL (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9070079 0.89 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9069446 0.89 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL12438193 0.87 FAAH (0.51) CYP3A4ALOX15HSD17B10F7F3
SCHEMBL15483702 0.87 FAAH (0.51) CYP3A4ALOX15HSD17B10F7F3
SCHEMBL19359758 0.87 FAAH (0.51) CYP3A4ALOX15HSD17B10F7F3
SCHEMBL15483677 0.87 FAAH (0.51) CYP3A4ALOX15HSD17B10F7F3
SCHEMBL9070111 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9069413 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-20150376143-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LTD (IE) 2015-12-31 US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 US disclosed
US-8796276-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-05 US disclosed
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LIMITED 2013-04-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 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 (11 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-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20150376143-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ALDH1A1 432/4885CYP3A4 477/4885ALOX15 4499/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885CYP3A4 3/4885ALOX15 2148/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885CYP3A4 3/4885ALOX15 2148/4885

“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.