SCHEMBL786754

SCHEMBL786754

COc1cc(-c2cccc(CO)c2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
MAOB P27338 1/20 0.48
ERN1 O75460 1/20 0.47
FYN P06241 9/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
PTGS2 P35354 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL14157784 0.85 PTGS2 (0.58) MAOBERN1FYNKDM4EALDH1A1
SCHEMBL4116736 0.83 MAOB (0.48) MAOBERN1FYNKDM4EALDH1A1
SCHEMBL14614554 0.82 MAOB (0.47) MAOBERN1KDM4EALDH1A1HPGD
SCHEMBL4108382 0.81 ERN1 (0.59) MAOBERN1FYNALDH1A1HPGD
SCHEMBL27584629 0.80 FYN (0.46) PRKCIERN1FYN
SCHEMBL5681800 0.78 DRD4 (0.62) KDM4EALDH1A1
SCHEMBL23750141 0.78 PRKCI (0.67) PRKCIFYNACMSD
SCHEMBL4191589 0.78 PRKCI (0.72) PRKCIFYNACMSD
SCHEMBL4937029 0.77 FYN (0.56) PRKCIMAOBFYN
SCHEMBL12766851 0.77 ERN1 (0.79) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-1403249-A1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 US disclosed
US-6509329-B1 Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation KOWA CO., LTD. (JP) 2003-01-21 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 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 (9 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-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 PRKCI 2509/4885MAOB 782/4885ERN1 4254/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 PRKCI 2509/4885MAOB 782/4885ERN1 4254/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PRKCI 2509/4885MAOB 782/4885ERN1 4254/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 PRKCI 4025/4885MAOB 1325/4885ERN1 1124/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 PRKCI 2250/4885MAOB 2022/4885ERN1 3313/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PRKCI 2250/4885MAOB 2022/4885ERN1 3313/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PRKCI 2250/4885MAOB 2022/4885ERN1 3313/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 PRKCI 4847/4885MAOB 2190/4885ERN1 2029/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PRKCI 2509/4885MAOB 782/4885ERN1 4254/4885

“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.