SCHEMBL4935698

SCHEMBL4935698

O=C(O)c1cccc2c1sc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PARP14 Q460N5 1/20 0.48
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
GPR3 P46089 1/20 0.46
CDC25B P30305 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ALOX5 P09917 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL30944689 1.00 PRNP (0.51) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL28967943 0.95 PRNP (0.48) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL14885642 0.90 PRNP (0.57) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL29589251 0.88 ALDH1A1 (0.48) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL300219 0.88 ALDH1A1 (0.48) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL31626799 0.88 ALDH1A1 (0.48) PRNPRXFP1NR4A1NR4A2NR4A3
Ammonia Solution, Strong SCHEMBL30382110 0.86 MAPT (0.47) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL28533855 0.86 MAPT (0.47) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL31083578 0.86 NR4A1 (0.54) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL5866499 0.86 NR4A1 (0.54) PRNPRXFP1NR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458954-B Condensed fluorene derivative containing heterocycle SFC株式会社 2022-06-28 CN disclosed
WO-2022125736-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-16 WO disclosed
EP-3160972-B1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
EP-3160972-B1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-20170162805-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-06-08 US disclosed
US-20170162805-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-06-08 US disclosed
US-20170162805-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-06-08 US disclosed
EP-3160972-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2017-05-03 EP disclosed
WO-2016000804-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2016-01-07 WO disclosed
WO-2016000804-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2016-01-07 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0945450-A1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed
US-5391567-A Oral administeration MACROCHEM CORPORATION (US) 1995-02-21 US disclosed
US-5344941-A Treatment of osteoporosis MACROCHEM CORPORATION 1994-09-06 US disclosed
EP-0259168-B1 NEW WATER-SOLUBLE SALTS OF THIONAPTHENE-2-CARBOXYLIC ACID Macrochem Corporation (US) 1991-12-11 EP disclosed
EP-0259168-A1 New water-soluble salts of thionapthene-2-carboxylic acid Macrochem Corporation (US) 1988-03-09 EP disclosed
US-4432986-A N-(TETRAZOL-5-YL)-(DIBENZOTHIOPHENE-, OR DIBENZOFURAN-, OR 1,3-BEZODIOXOLE-, OR NAPHTHALENE-)-4-CARBOXAMIDE RIKER LABORATORIES, INC. (US) 1984-02-21 US disclosed
US-4185108-A INDOLE OR CARBAZOLE CARBOXYLIC ACIDS WESTWOOD PHARMACEUTICALS INC. (US) 1980-01-22 US disclosed
US-4125621-A THIOXANTHENE-9-ONES BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed
US-4101668-A BENZOTHIOPHENE AND DIBENZOTHIOPHENE CARBOXYLIC ACIDS BRISTOL-MYERS COMPANY (US) 1978-07-18 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 (1 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-20170162805-A1 EXTENDED NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS ACE, ACE2, ECE2 PRNP 1468/4885RXFP1 3742/4885NR4A1 2225/4885

“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.