SCHEMBL435441

SCHEMBL435441

COc1ccc(C(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
AOC3 Q16853 2/20 0.53
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACP3 P15309 1/20 0.48
SLC2A1 P11166 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTA4H P09960 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL19728201 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL11938486 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL3695690 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL19728209 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL11938484 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL120187 0.84 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL343939 0.82 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL3071819 0.82 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL931283 0.82 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL19315897 0.80 CA12 (0.52) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3248969-B1 PROCESS FOR THE PREPARATION OF N-[3-(AMINOMETHYL)OXETAN-3-YL]CARBAMATE INTERMEDIATES HOFFMANN LA ROCHE (CH) 2020-03-04 EP claimed
EP-2844065-A2 ATTRACTANT COMPOSITION Attratec GmbH (DE) 2015-03-11 EP claimed
WO-2013164426-A2 ATTRACTANT COMPOSITION ATTRATEC GMBH (DE) 2013-11-07 WO claimed
EP-4531799-A1 TWO-STAGE DYEING METHOD FOR IMPROVED DYEING OF HAIR WITH NATURAL DYES Henkel AG & Co. KGaA (DE) 2025-04-09 EP disclosed
EP-3701005-B1 SOLID FRAGRANCE-CONTAINING COMPOSITION HENKEL AG & CO KGAA (DE) 2024-01-24 EP disclosed
WO-2023227292-A1 TWO-STAGE DYEING METHOD FOR IMPROVED DYEING OF HAIR WITH NATURAL DYES HENKEL AG & CO. KGAA (DE) 2023-11-30 WO disclosed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
EP-1859954-B1 Planographic printing plate precursor and stack thereof FUJIFILM CORP (JP) 2008-11-12 EP disclosed
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 US disclosed
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 US disclosed
CN-1096700-A Medicine for treating calculus WANG TIE (CN) 1994-12-28 CN 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 (7 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-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA1 431/4885CA2 1961/4885CA12 58/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 CA1 4008/4885CA2 2790/4885CA12 3414/4885
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate VDR, HCAR1, FOLR1 CA1 3219/4885CA2 2485/4885CA12 2042/4885
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives VDR, HCAR1, FOLR1 CA1 1867/4885CA2 3559/4885CA12 1649/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA1 431/4885CA2 1961/4885CA12 58/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CA1 431/4885CA2 1961/4885CA12 58/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA1 431/4885CA2 1961/4885CA12 58/4885

“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.