SCHEMBL60543

SCHEMBL60543

COc1ccc2cc(C(O)CC(C)=O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.58
AKR1C2 P52895 6/20 0.58
PTGS2 P35354 3/20 0.58
PTGS1 P23219 3/20 0.58
TSHR P16473 2/20 0.58
CYP1A2 P05177 2/20 0.58
CDC42 P60953 1/20 0.58
RAC1 P63000 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
AKR1C1 Q04828 1/20 0.57
ABCB11 O95342 1/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C9 P11712 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL38651836 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL9696473 0.89 AKR1C3 (0.60) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL7557544 0.85 AKR1C3 (0.64) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL27553231 0.84 AOC3 (0.56) MAPTL3MBTL1
SCHEMBL27553229 0.84 AOC3 (0.56) MAPTL3MBTL1
SCHEMBL11154899 0.84 ABCB11 (0.69) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL28905360 0.83 MEN1 (0.55) TSHRCYP1A2L3MBTL1KDM4ECYP3A4
SCHEMBL27698782 0.83 MEN1 (0.55) TSHRCYP1A2L3MBTL1KDM4ECYP3A4
SCHEMBL14515277 0.83 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL14515279 0.83 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119185479-A Compound traditional Chinese medicine essential oil and application thereof in improving parkinsonism seeds 暨南大学 2024-12-27 CN claimed
US-12639193-B2 Systems and methods for retrieval-augmented patch generation for automatic program repair SALESFORCE, INC. (US) 2026-05-26 US disclosed
US-12637520-B2 Conjugation chemistry for catalytic antibody 38C2 UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2026-05-26 US disclosed
WO-2026107389-A1 CHROMATIN LANDSCAPES AND CELL-FREE DNA FRAGMENTATION FOR COLORECTAL CANCER DETECTION THE JOHNS HOPKINS UNIVERSITY (US) 2026-05-21 WO disclosed
US-20260126413-A1 QUANTITATIVE SHOTGUN PROTEOME, LIPIDOME, AND METABOLOME ANALYSIS BY DIRECT INFUSION WISCONSIN ALUMNI RES FOUND (US) 2026-05-07 US disclosed
US-12618934-B2 Methods and systems for validating locations Khalifa University of Science and Technology (AE) 2026-05-05 US disclosed
US-12618678-B2 Smartphone-based inertial odometry THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-05-05 US disclosed
US-20260096784-A1 ANTICIPATING AND INTERVENING IN NOCTURNAL HYPOGLYCEMIC EPISODES UNIV OREGON HEALTH & SCIENCE (US) 2026-04-09 US disclosed
US-20260077009-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Neurotech International Ltd (AU) 2026-03-19 US disclosed
US-12569700-B2 Methods of use of ultra-high dose rate radiation and therapeutic agent VARIAN MEDICAL SYSTEMS, INC. (US) 2026-03-10 US disclosed
WO-2011047101-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2011-04-21 WO disclosed
US-20110045575-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA, INC. 2011-02-24 US disclosed
US-20100330635-A1 ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL GENOMATICA, INC. (US) 2010-12-30 US disclosed
US-7858350-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2010-12-28 US disclosed
US-20100323418-A1 ORGANISMS FOR THE PRODUCTION OF ISOPROPANOL, n-BUTANOL, AND ISOBUTANOL GENOMATICA, INC. (US) 2010-12-23 US disclosed
WO-2010141920-A2 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA, INC. (US) 2010-12-09 WO disclosed
WO-2010127319-A2 ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL GENOMATICA, INC. (US) 2010-11-04 WO disclosed
WO-2010127303-A1 ORGANISMS FOR THE PRODUCTION OF ISOPROPANOL, N-BUTANOL, AND ISOBUTANOL GENOMATICA, INC. (US) 2010-11-04 WO disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 US disclosed
WO-2010030711-A2 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2010-03-18 WO 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 (8 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-12618678-B2 Smartphone-based inertial odometry DCX, NUDC, MMP26 AKR1C3 3595/4885AKR1C2 3142/4885PTGS2 4715/4885
US-12637520-B2 Conjugation chemistry for catalytic antibody 38C2 IGLV6-57, SETD1A, KDM4C AKR1C3 3591/4885AKR1C2 3514/4885PTGS2 4506/4885
US-12569700-B2 Methods of use of ultra-high dose rate radiation and therapeutic agent CD44, FUCA1, TPSG1 AKR1C3 1841/4885AKR1C2 1314/4885PTGS2 939/4885
US-20260077009-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CNR2, CNR1, SNCA AKR1C3 4245/4885AKR1C2 4280/4885PTGS2 523/4885
US-20260126413-A1 QUANTITATIVE SHOTGUN PROTEOME, LIPIDOME, AND METABOLOME ANALYSIS BY DIRECT INFUSION SRMS, SLC27A2, PDAP1 AKR1C3 4325/4885AKR1C2 4234/4885PTGS2 3020/4885
US-12639193-B2 Systems and methods for retrieval-augmented patch generation for automatic program repair BMPR1A, BMPR2, BMP1 AKR1C3 4760/4885AKR1C2 4687/4885PTGS2 3395/4885
US-12618934-B2 Methods and systems for validating locations FURIN, PROKR2, SRMS AKR1C3 2891/4885AKR1C2 2593/4885PTGS2 3570/4885
US-20260096784-A1 ANTICIPATING AND INTERVENING IN NOCTURNAL HYPOGLYCEMIC EPISODES GCG, GCKR, GPR119 AKR1C3 4075/4885AKR1C2 3263/4885PTGS2 4754/4885

“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.