SCHEMBL903958

SCHEMBL903958

Bc1c(F)cc(O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
BACE1 P56817 1/20 0.41
ESR1 P03372 5/20 0.37
ESR2 Q92731 3/20 0.37
HCAR1 Q9BXC0 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.31
AR P10275 1/20 0.31
CYP3A4 P08684 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30

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
SCHEMBL5511740 0.73 CA9 (0.50) CA9CA12CA1TAAR1BACE1
SCHEMBL2868026 0.73 ESR1 (0.50) CA9CA12CA1TAAR1BACE1
SCHEMBL156893 0.73 CA1 (0.50) CA9CA12CA1TAAR1BACE1
SCHEMBL5346004 0.73 CES2 (0.36) CA9CA12CA1ALDH1A1
SCHEMBL28360147 0.71 CA1 (0.47) CA9CA12CA1TAAR1BACE1
SCHEMBL28857395 0.71 CA9 (0.47) CA9CA12CA1TAAR1BACE1
SCHEMBL10187305 0.69
SCHEMBL30749677 0.69 ADRA2A (0.35) CA9CA3CA6CA5ACA14
SCHEMBL14305507 0.69 CA9 (0.45) CA9CA12CA1TAAR1BACE1
SCHEMBL1575301 0.69 CA1 (0.45) CA9CA12CA1TAAR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 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 (2 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 CA9 1050/4885CA12 3166/4885CA1 3736/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 CA9 1050/4885CA12 3166/4885CA1 3736/4885

“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.