SCHEMBL1145902

SCHEMBL1145902

Cc1cc(C)cc([C]=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
TPMT P51580 1/20 0.38
ACHE P22303 2/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL7789350 0.94 SELL (0.36) ALDH1A1TSHRTPMTACHESELL
SCHEMBL17144353 0.82 RAPGEF4 (0.33) TSHR
SCHEMBL28896868 0.82 ACHE (0.36) ACHE
SCHEMBL3258882 0.82 ALDH1A1 (0.42) ALDH1A1
Carbon Dioxide SCHEMBL28275984 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTPMTACHESELL
SCHEMBL28135369 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTPMTACHESELL
SCHEMBL17143768 0.77 RAPGEF4 (0.39) CYP3A4MAPK1RXRARXRB
SCHEMBL356245 0.75
SCHEMBL3975069 0.75 RXRA (0.50) ALDH1A1TSHRTPMTACHEFFAR1
SCHEMBL661381 0.73 ALDH1A1 (0.44) ALDH1A1TSHRTPMTACHESELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
CN-113004296-A General synthetic method for preparing chiral oxygen heterocyclic compound by novel [4+1] and [5+1] cyclization strategies 重庆大学 2021-06-22 CN claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
EP-3749365-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION Ohio State Innovation Foundation (US) 2020-12-16 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO claimed
CN-109851492-A The synthetic method of 3,5- dimethyl benzoyl chlorides 山东凯盛新材料股份有限公司 2019-06-07 CN claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0266730-B1 Esters of hexadydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and related compounds MERRELL DOW PHARMA (US) 1994-08-10 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4766128-A Optionally 11- to 13-substituted ergoline compounds useful as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-23 US claimed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 US claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 ALDH1A1 1413/4885TSHR 2887/4885TPMT 3556/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 ALDH1A1 1413/4885TSHR 2887/4885TPMT 3556/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4853/4885TSHR 4073/4885TPMT 4639/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885TSHR 4087/4885TPMT 4642/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885TSHR 4087/4885TPMT 4642/4885

“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.