SCHEMBL189517

SCHEMBL189517

N#Cc1cc(O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.49
ESR2 Q92731 11/20 0.49
AR P10275 5/20 0.44
TRPV4 Q9HBA0 2/20 0.43
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL5067426 0.84 AR (0.57) ESR1ESR2ARCNR2
SCHEMBL176946 0.82 TRPV4 (0.57) ESR1ESR2ARTRPV4
SCHEMBL31122790 0.80 TRPV4 (0.55) ESR1ESR2ARTRPV4
SCHEMBL12907061 0.79 AR (0.60) ESR1ESR2ARCNR2
SCHEMBL29473510 0.78 CA9 (0.46) ESR1ESR2ARCA12CA2
SCHEMBL1697195 0.78 CA9 (0.46) ESR1ESR2ARCA12CA2
SCHEMBL2809900 0.77 ESR1 (0.45) ESR1ESR2ARCA3CA6
SCHEMBL74807 0.76 TRPV4 (0.46) ARTRPV4CNR2CA3CA6
SCHEMBL1267040 0.76 ESR2 (0.44) ESR1ESR2ARCA12CA2
Bromide SCHEMBL28616522 0.74 ESR2 (0.43) ESR1ESR2ARCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权(第2 号)有限公司 2022-12-09 CN claimed
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN claimed
EP-0188848-B1 PREPARATION OF 4-FLUOROPHENOLS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-30 EP claimed
US-4760160-A Preparation of 3-cyano-4-fluorophenol SHELL OIL COMPANY (US) 1988-07-26 US claimed
EP-0188848-A1 Preparation of 4-fluorophenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-07-30 EP claimed
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 US disclosed
EP-4735423-A1 KV7 MODULATORS Saniona A/S (DK) 2026-05-06 EP disclosed
EP-4709716-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
EP-4673138-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed
EP-0188848-B1 PREPARATION OF 4-FLUOROPHENOLS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-30 EP disclosed
US-4760160-A Preparation of 3-cyano-4-fluorophenol SHELL OIL COMPANY (US) 1988-07-26 US disclosed
US-4760160-A Preparation of 3-cyano-4-fluorophenol SHELL OIL COMPANY (US) 1988-07-26 US disclosed
EP-0188848-A1 Preparation of 4-fluorophenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-07-30 EP 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 (4 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 ESR1 4028/4885ESR2 3936/4885AR 3579/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 ESR1 4028/4885ESR2 3936/4885AR 3579/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 ESR1 3945/4885ESR2 3816/4885AR 3367/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B ESR1 2800/4885ESR2 2399/4885AR 336/4885

“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.