SCHEMBL4779413

SCHEMBL4779413

O=C(O)C1CC1c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.61
DEGS1 O15121 2/20 0.56
HDAC4 P56524 1/20 0.47
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC9A1 P19634 1/20 0.43
EPHX2 P34913 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL15239406 1.00 FFAR1 (0.61) FFAR1DEGS1HDAC4KDM1AALDH1A1
SCHEMBL22466332 1.00 FFAR1 (0.61) FFAR1DEGS1HDAC4KDM1AALDH1A1
SCHEMBL22466320 1.00 FFAR1 (0.61) FFAR1DEGS1HDAC4KDM1AALDH1A1
SCHEMBL15239255 1.00 FFAR1 (0.61) FFAR1DEGS1HDAC4KDM1AALDH1A1
SCHEMBL14244532 1.00 FFAR1 (0.61) FFAR1DEGS1HDAC4KDM1AALDH1A1
SCHEMBL2034678 0.83 FFAR1 (0.70) FFAR1DEGS1HDAC4ALDH1A1SLC9A1
SCHEMBL323824 0.83 FFAR1 (0.70) FFAR1DEGS1HDAC4ALDH1A1SLC9A1
SCHEMBL4126470 0.83 FFAR1 (0.70) FFAR1DEGS1HDAC4ALDH1A1SLC9A1
SCHEMBL5217474 0.83 FFAR1 (0.70) FFAR1DEGS1HDAC4ALDH1A1SLC9A1
SCHEMBL8295172 0.83 FFAR1 (0.70) FFAR1DEGS1HDAC4ALDH1A1SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP claimed
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP claimed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 WO claimed
CN-113614089-B Morphinans useful in the treatment of medical conditions 人福医药美国公司 2024-08-20 CN disclosed
US-20220089605-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2022-03-24 US disclosed
US-20220089605-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2022-03-24 US disclosed
US-11214577-B2 Morphinans useful for treating medical disorders Humanwell Pharmaceutical US (US) 2022-01-04 US disclosed
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF SANTOLECAN PHARMACEUTICALS LLC 2021-07-29 US disclosed
EP-3812376-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Santolecan Pharmaceuticals LLC (US) 2021-04-28 EP disclosed
WO-2020205735-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS Humanwell Pharmaceutical US (US) 2020-10-08 WO disclosed
US-20200308185-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2020-10-01 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US disclosed
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 WO 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 (7 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA FFAR1 3443/4885DEGS1 1893/4885HDAC4 929/4885
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF DDOST, UGT2B17, UGT1A7 FFAR1 1687/4885DEGS1 765/4885HDAC4 1441/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA FFAR1 3329/4885DEGS1 1933/4885HDAC4 930/4885
US-20200308185-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS OPRK1, OPRM1, OPRL1 FFAR1 320/4885DEGS1 3572/4885HDAC4 3582/4885
US-11214577-B2 Morphinans useful for treating medical disorders OPRM1, OPRL1, OPRK1 FFAR1 359/4885DEGS1 2598/4885HDAC4 3806/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA FFAR1 3275/4885DEGS1 1858/4885HDAC4 970/4885
US-20220089605-A1 NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS OPRK1, OPRM1, OPRL1 FFAR1 320/4885DEGS1 3572/4885HDAC4 3582/4885

“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.