SCHEMBL98096

SCHEMBL98096

Cc1ccc([C]=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
MCL1 Q07820 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
SCHEMBL7786851 0.80 TRPA1 (0.32) TRPA1CYP3A4
SCHEMBL2096369 0.78 MCL1 (0.38) ALDH1A1CYP3A4TDP1TSHRNPC1
SCHEMBL3279463 0.78 GRM5 (0.44) TSHRL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL10348031 0.78 CYP3A4 (0.46) TRPA1CYP3A4NPC1L3MBTL1HTT
SCHEMBL11459471 0.78 ALDH1A1 (0.50) ALDH1A1TRPA1CYP3A4TDP1TSHR
SCHEMBL1877379 0.78 RAB9A (0.38) ALDH1A1CYP3A4TSHRLMNANPC1
SCHEMBL5164132 0.78 HPGD (0.38) ALDH1A1TRPA1CYP3A4TSHRNPC1
SCHEMBL5367039 0.78 TRPA1 (0.35) TRPA1CYP3A4
SCHEMBL10944967 0.78 CYP3A4 (0.50) ALDH1A1CYP3A4TDP1TSHRNPC1
SCHEMBL1044275 0.78 HDAC1 (0.41) TRPA1CYP3A4LMNANPC1HTT

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 460 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
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
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
EP-0344184-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY. ROTTA RESEARCH LAB (IT) 1989-12-06 EP claimed
EP-0151593-B1 ENZYME DERIVATIVES BEECHAM GROUP PLC (GB) 1989-02-22 EP claimed
WO-1988005774-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-08-11 WO claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
US-4604285-A ANTICOAGULANT BEECHAM GROUP P.L.C. (GB) 1986-08-05 US claimed
EP-0151593-A1 ENZYME DERIVATIVES. BEECHAM GROUP PLC (GB) 1985-08-21 EP claimed
WO-1985000521-A1 ENZYME DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1985-02-14 WO 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 (6 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 1413/4885TRPA1 4835/4885CYP3A4 4367/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 ALDH1A1 1413/4885TRPA1 4835/4885CYP3A4 4367/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4853/4885TRPA1 3079/4885CYP3A4 4534/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885TRPA1 3101/4885CYP3A4 4535/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885TRPA1 3101/4885CYP3A4 4535/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ALDH1A1 4861/4885TRPA1 2775/4885CYP3A4 4416/4885

“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.