SCHEMBL980697

SCHEMBL980697

Cc1ccc(C=O)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
ALDH1A3 P47895 5/20 0.53
ALDH3A1 P30838 2/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
HSD17B10 Q99714 1/20 0.46
VCAM1 P19320 1/20 0.46
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TYR P14679 1/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PTGER4 P35408 1/20 0.39
TTR P02766 1/20 0.39
AOX1 Q06278 1/20 0.38

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
SCHEMBL29952189 1.00 ALDH1A1 (0.64) ALDH1A1ALDH1A3ALDH3A1CYP3A4CYP2A6
SCHEMBL29955168 0.82 ALDH1A1 (0.64) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
SCHEMBL276473 0.82 ALDH1A1 (0.64) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
Ethane SCHEMBL2153562 0.80 ALDH1A1 (0.61) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
SCHEMBL3927881 0.79 ALDH1A1 (0.46) ALDH1A1ALDH1A3CYP3A4CYP2A6HSD17B10
SCHEMBL10870983 0.79 CYP3A4 (0.48) ALDH1A1ALDH1A3CYP3A4PTGS2SMN1; SMN2
SCHEMBL48577 0.78 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
SCHEMBL29364412 0.78 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
SCHEMBL98097 0.78 CYP2A6 (0.52) ALDH1A1ALDH1A3CYP2A6HSD17B10TSHR
SCHEMBL29350085 0.78 CYP2A6 (0.52) ALDH1A1ALDH1A3CYP2A6HSD17B10TSHR

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 225 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-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
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-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
EP-4103557-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2025-12-23 US disclosed
EP-4384165-B1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-07-09 EP disclosed
EP-4516118-A2 USE OF AMBOCENIDE® FOR REINFORCING A LILY OF THE VALLEY NOTE Symrise AG (DE) 2025-03-05 EP disclosed
EP-3665163-B1 USE OF AMBROCENIDE® FOR ENHANCING THE FRAGRANCE OF LILLIES OF THE VALLEY SYMRISE AG (DE) 2024-12-25 EP disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 US disclosed
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 US disclosed
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4002660-A ANTIBACTERIAL AGENTS MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-11 US disclosed
US-3962219-A DISTYRYL-BENZOBISOXAZOLES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 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 (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-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL ALDH1A1 266/4885ALDH1A3 517/4885ALDH3A1 432/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4853/4885ALDH1A3 4541/4885ALDH3A1 4549/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885ALDH1A3 4540/4885ALDH3A1 4541/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 ALDH1A1 4851/4885ALDH1A3 4540/4885ALDH3A1 4541/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ALDH1A1 4861/4885ALDH1A3 4859/4885ALDH3A1 4856/4885

“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.