SCHEMBL17708797

SCHEMBL17708797

COC(=O)c1cccc(C2CC(=O)c3ccc(C)cc3O2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.64
NPC1 O15118 1/20 0.57
CYP19A1 P11511 6/20 0.55
CYP3A4 P08684 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
SCHEMBL17708799 1.00 MAOB (0.64) MAOBNPC1CYP19A1CYP3A4
SCHEMBL17709027 0.91 RAB9A (0.58) MAOBNPC1CYP19A1
SCHEMBL17709028 0.91 RAB9A (0.58) MAOBNPC1CYP19A1
SCHEMBL17708995 0.89 CYP19A1 (0.70) MAOBCYP19A1
SCHEMBL17708996 0.89 CYP19A1 (0.70) MAOBCYP19A1
SCHEMBL20326880 0.88 MAOB (0.72) MAOBNPC1CYP19A1CYP3A4
SCHEMBL17708859 0.88 MAOB (0.62) MAOBCYP19A1
SCHEMBL17709128 0.88 CYP19A1 (0.72) MAOBCYP19A1CYP3A4
SCHEMBL17708856 0.88 MAOB (0.62) MAOBCYP19A1
SCHEMBL17709131 0.88 CYP19A1 (0.72) MAOBCYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 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 1450/4885CYP19A1 994/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 MAOB 3188/4885NPC1 1450/4885CYP19A1 994/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 MAOB 3188/4885NPC1 1450/4885CYP19A1 994/4885

“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.