SCHEMBL1663456

SCHEMBL1663456

CC(C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SRD5A2 P31213 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL194039 0.84 RXFP1 (0.53) HCAR3TDP1TSHRALDH1A1LMNA
SCHEMBL6237516 0.83 TP53 (0.48) HCAR3TDP1TSHRTP53ALDH1A1
SCHEMBL22071184 0.83 TP53 (0.48) HCAR3TDP1TSHRTP53ALDH1A1
SCHEMBL350280 0.83 TP53 (0.48) HCAR3TDP1TSHRTP53ALDH1A1
SCHEMBL350279 0.83 TP53 (0.48) HCAR3TDP1TSHRTP53ALDH1A1
SCHEMBL10055051 0.83 RXFP1 (0.56) TDP1TSHRTP53ALDH1A1LMNA
SCHEMBL1615179 0.82 ALDH1A1 (0.65) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL31572047 0.82 ALDH1A1 (0.69) HCAR3TDP1TSHRTP53ALDH1A1
SCHEMBL23901559 0.81 KDM4E (0.50) HCAR3KDM4EPIM3
SCHEMBL30780103 0.81 KDM4E (0.50) HCAR3KDM4EPIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 WO disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
CN-115583946-A Heterocyclic compounds and their use as CDK inhibitors 赛诺哈勃药业(成都)有限公司 2023-01-10 CN disclosed
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-12-14 US disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-10604492-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSTIY OF CALIFORNIA (US) 2020-03-31 US disclosed
WO-2017196261-A1 JAK AND HDAC DUAL-INHIBITOR COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-11-16 WO disclosed
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2017-08-31 US disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
EP-1477537-B1 Ink-jet recording method KONICA MINOLTA MED & GRAPHIC (JP) 2008-05-14 EP disclosed
EP-1630213-B1 Ink-jet ink set and recording method using the same KONICA MINOLTA MED & GRAPHIC (JP) 2008-01-09 EP disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1630213-A1 Ink-jet ink set and recording method using the same Konica Minolta Medical & Graphic, Inc. (JP) 2006-03-01 EP disclosed
US-20040227798-A1 Ink-jet ink set and recording method using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2004-11-18 US disclosed
EP-1477537-A1 Ink-jet ink set and recording method using the same Konica Minolta Medical & Graphic Inc. (JP) 2004-11-17 EP disclosed
US-20030219467-A1 Method for the inhibition of methanogensis THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-27 US disclosed
WO-2003038109-A2 METHOD FOR THE INHIBITION OF METHANOGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2003-05-08 WO disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 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 (7 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A HCAR3 3647/4885TDP1 264/4885TSHR 2647/4885
US-10604492-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 HCAR3 253/4885TDP1 2925/4885TSHR 610/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 HCAR3 1535/4885TDP1 4765/4885TSHR 3105/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A HCAR3 4884/4885TDP1 1197/4885TSHR 3904/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 HCAR3 1535/4885TDP1 4765/4885TSHR 3105/4885
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity ERG28, BAK1, MCL1 HCAR3 2636/4885TDP1 3138/4885TSHR 3897/4885
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA HCAR3 4350/4885TDP1 1180/4885TSHR 3240/4885

“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.