SCHEMBL1164529

SCHEMBL1164529

CCCCCCCCCCCCCCc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.90
MEN1 O00255 1/20 0.90
ALDH1A1 P00352 1/20 0.90
RARA P10276 1/20 0.90
MAPT P10636 1/20 0.90
MTOR P42345 1/20 0.90
KMT2A Q03164 1/20 0.90
THRA P10827 2/20 0.67
THRB P10828 2/20 0.67
ATG4B Q9Y4P1 7/20 0.66
PLA2G1B P04054 6/20 0.66
CYP1A2 P05177 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
RECQL P46063 1/20 0.66

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
SCHEMBL8080374 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL82569 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2185929 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL970162 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL270423 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL503648 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL18979350 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL503506 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL18979307 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL980560 1.00 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692041-A1 METHOD FOR PRODUCING BIO-DERIVED ESTER COMPOUND, BIO-DERIVED ESTER COMPOUND PRODUCED THEREBY, COSMETIC OR DETERGENT CONTAINING BIO-DERIVED ESTER COMPOUND, AND METHOD FOR REDUCING ODOR OF ESTER COMPOUND ADEKA CORPORATION (JP) 2026-02-11 EP disclosed
WO-2024204392-A1 METHOD FOR PRODUCING BIO-DERIVED ESTER COMPOUND, BIO-DERIVED ESTER COMPOUND PRODUCED THEREBY, COSMETIC OR DETERGENT CONTAINING BIO-DERIVED ESTER COMPOUND, AND METHOD FOR REDUCING ODOR OF ESTER COMPOUND 株式会社ADEKA 2024-10-03 WO disclosed
US-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2018-08-02 US disclosed
US-9908849-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-06 US disclosed
EP-3181569-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME UBE Industries, Ltd. (JP) 2017-06-21 EP disclosed
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA 2017-06-15 US disclosed
US-9421177-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-08-23 US disclosed
CN-101811981-B Small-angle inverted V-shaped long lateral-chain ferroelectric liquid crystal compound and synthesis method thereof UNIV BEIHANG 2013-06-26 CN disclosed
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 US disclosed
WO-2011020116-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-17 WO disclosed
CN-101811981-A Small-angle inverted V-shaped long lateral-chain ferroelectric liquid crystal compound and synthesis method thereof UNIV BEIHANG 2010-08-25 CN disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-4774342-A ANTITUMOR AGENTS SUNTORY LIMITED (JP) 1988-09-27 US disclosed
US-4556495-A INJECTING AN ALKALI METAL CARBOXYLATE, POLAR COSURFACTANT, ELECTROLYTE PHILLIPS PETROLEUM COMPANY (US) 1985-12-03 US disclosed
EP-0108645-A2 Novel ailanthone derivative SUNTORY LIMITED (JP) 1984-05-16 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 (3 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-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME IKZF3, HELZ, TEC RARB 695/4885MEN1 3053/4885ALDH1A1 246/4885
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 RARB 4533/4885MEN1 1068/4885ALDH1A1 4570/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 RARB 4533/4885MEN1 1068/4885ALDH1A1 4570/4885

“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.