SCHEMBL3367595

SCHEMBL3367595

CCC(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
RARB P10826 6/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
SRD5A2 P31213 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL5650048 0.84 ALDH1A1 (0.59) ALDH1A1RARBTP53TSHRKMT2A
SCHEMBL17481548 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMAPTRXRARXRB
SCHEMBL7295102 0.82 PLA2G10 (0.50) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL5649598 0.81 RARB (0.57) ALDH1A1RARBTP53TSHRKMT2A
SCHEMBL5845746 0.81 SRD5A2 (0.63) ALDH1A1TP53TSHRMAPTSRD5A2
SCHEMBL16125623 0.81 ALDH1A1 (0.54) ALDH1A1RARBTP53TSHRKMT2A
SCHEMBL16507768 0.81 GRIN2D (0.49) ALDH1A1RARBKMT2AMEN1RXRA
SCHEMBL7149195 0.80 ALDH1A1 (0.52) ALDH1A1TP53KMT2AMEN1SMN1; SMN2
Benzene SCHEMBL27614820 0.80 CES1 (0.58) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL43241 0.80 CES1 (0.58) ALDH1A1TP53TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
CN-115477577-A Novel method for preparing 2-methyl-4-acetylbenzoic acid and derivatives thereof 台州臻挚生物科技有限公司 2022-12-16 CN disclosed
CN-113461653-A Method for preparing fraxidin intermediate, and preparation intermediate and application thereof 洛阳惠中兽药有限公司 2021-10-01 CN disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
EP-1690685-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-08-16 EP disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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 (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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 261/4885RARB 887/4885TP53 1748/4885
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 ALDH1A1 1190/4885RARB 639/4885TP53 4610/4885
US-11697647-B2 RET kinase inhibitors RET, BRAF, GFRA1 ALDH1A1 1205/4885RARB 46/4885TP53 510/4885
US-20230265085-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 ALDH1A1 1205/4885RARB 46/4885TP53 510/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 252/4885RARB 916/4885TP53 2027/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR ALDH1A1 1174/4885RARB 701/4885TP53 4421/4885

“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.