SCHEMBL2529937

SCHEMBL2529937

Oc1cccc2cc(F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 11/20 0.59
HSD17B2 P37059 11/20 0.59
PLAU P00749 1/20 0.59
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 1/20 0.48
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NQO2 P16083 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL31556780 1.00 HSD17B1 (0.59) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL28296698 0.83 CYP1A2 (0.45) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL6552818 0.83 CTDSP1 (0.59) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL29738652 0.77 HSD17B1 (0.70) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL30366550 0.77 CYP1A2 (0.52) HSD17B1HSD17B2CYP1A2CYP2A6CA3
SCHEMBL29364213 0.77 HSD17B1 (0.70) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL5748246 0.77 CYP1A2 (0.52) HSD17B1HSD17B2CYP1A2CYP2A6CA3
SCHEMBL444105 0.77 HSD17B1 (0.84) HSD17B1HSD17B2PLAUESR1ESR2
SCHEMBL18530961 0.77 CYP1A2 (0.52) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL15451 0.77 HSD17B1 (0.70) HSD17B1HSD17B2PLAUESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12599672-B2 KRAS proteolysis targeting chimeras PAQ Therapeutics Inc. (US) 2026-04-14 US disclosed
US-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2026-03-19 US disclosed
EP-4630401-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF Rutgers, the State University of New Jersey (US) 2025-10-15 EP disclosed
US-20250144225-A1 KRAS Proteolysis Targeting Chimeras PAQ Therapeutics Inc. (US) 2025-05-08 US disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
US-12152041-B2 Macrocyclic fluorine substituted indole derivatives THE BROAD INSTITUTE, INC. (US) 2024-11-26 US disclosed
WO-2024124023-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-13 WO disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-11891404-B2 Substituted macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2024-02-06 US disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 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 (12 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR HSD17B1 912/4885HSD17B2 807/4885PLAU 2600/4885
US-12599672-B2 KRAS proteolysis targeting chimeras KRAS, HRAS, NRAS HSD17B1 4005/4885HSD17B2 4145/4885PLAU 3358/4885
US-12152041-B2 Macrocyclic fluorine substituted indole derivatives FOXM1, CCNT2, CCND2 HSD17B1 2297/4885HSD17B2 2141/4885PLAU 4698/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT HSD17B1 3695/4885HSD17B2 3227/4885PLAU 2509/4885
US-11891404-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI HSD17B1 1807/4885HSD17B2 1673/4885PLAU 4688/4885
US-20250144225-A1 KRAS Proteolysis Targeting Chimeras KRAS, HRAS, NRAS HSD17B1 4065/4885HSD17B2 4251/4885PLAU 1603/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HSD17B1 3232/4885HSD17B2 3797/4885PLAU 3981/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 HSD17B1 2554/4885HSD17B2 2489/4885PLAU 3721/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 HSD17B1 1323/4885HSD17B2 981/4885PLAU 3680/4885
US-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF CA6, CA9, CA7 HSD17B1 68/4885HSD17B2 167/4885PLAU 2040/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH HSD17B1 3009/4885HSD17B2 2797/4885PLAU 2331/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD HSD17B1 2428/4885HSD17B2 2965/4885PLAU 70/4885

“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.