SCHEMBL6894713

SCHEMBL6894713

CC/C=C/COC(=O)OC(C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL6896707 1.00 PTGS1 (0.34) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL6897334 0.95 PTGS1 (0.41) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL12415217 0.95 PTGS1 (0.41) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL17429484 0.85 PTGS1 (0.34) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL6894966 0.85 PTGS1 (0.34) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL14899323 0.85 PTGS1 (0.36) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL6897264 0.81 PTGS1 (0.41) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL6898513 0.81 PTGS1 (0.41) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL12513931 0.80 PTGS1 (0.44) PTGS1ALDH1A1MAPTFFAR1CYP19A1
SCHEMBL14775231 0.80 ALDH1A1 (0.46) PTGS1ALDH1A1MAPTFFAR1CYP19A1

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-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 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-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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 (12 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE PTGS1 1898/4885ALDH1A1 599/4885MAPT 165/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE PTGS1 1898/4885ALDH1A1 599/4885MAPT 165/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE PTGS1 1898/4885ALDH1A1 599/4885MAPT 165/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 PTGS1 1032/4885ALDH1A1 1082/4885MAPT 2880/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 PTGS1 1032/4885ALDH1A1 1082/4885MAPT 2880/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B PTGS1 3350/4885ALDH1A1 432/4885MAPT 1129/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE PTGS1 1898/4885ALDH1A1 599/4885MAPT 165/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB PTGS1 2317/4885ALDH1A1 307/4885MAPT 349/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B PTGS1 1715/4885ALDH1A1 760/4885MAPT 363/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 PTGS1 1032/4885ALDH1A1 1082/4885MAPT 2880/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 PTGS1 1120/4885ALDH1A1 172/4885MAPT 3806/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE PTGS1 1898/4885ALDH1A1 599/4885MAPT 165/4885

“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.