SCHEMBL17709189

SCHEMBL17709189

COC(=O)c1ccc([C@H]2CC(=O)c3ccccc3O2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
MAPT P10636 2/20 0.68
ADORA3 P0DMS8 2/20 0.65
CYP3A4 P08684 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP19A1 P11511 3/20 0.65
AR P10275 2/20 0.65
KDM4E B2RXH2 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL17709187 1.00 MAOB (0.68) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL17708710 0.88 MAOB (0.58) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL17708709 0.88 MAOB (0.58) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL17709030 0.84 CYP19A1 (0.72) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL17709031 0.84 CYP19A1 (0.72) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL20326880 0.84 MAOB (0.72) MAOBNPC1CYP3A4CYP19A1
Flavanone SCHEMBL27610364 0.83 MAOB (0.87) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL28516061 0.83 MEN1 (0.53) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL28516062 0.83 MEN1 (0.53) MAOBNPC1RAB9AMAPTADORA3
SCHEMBL17708749 0.83 CYP19A1 (0.77) MAOBNPC1RAB9AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 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 (3 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 MAOB 3188/4885NPC1 1450/4885RAB9A 509/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 MAOB 3188/4885NPC1 1450/4885RAB9A 509/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 MAOB 3188/4885NPC1 1450/4885RAB9A 509/4885

“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.