SCHEMBL3844490

SCHEMBL3844490

Nc1c(CO)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.57
CASP7 P55210 1/20 0.57
CASP6 P55212 1/20 0.57
HMGB1 P09429 1/20 0.49
MMP2 P08253 1/20 0.47
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
FOLH1 Q04609 2/20 0.44
LMNA P02545 2/20 0.44
ABCB11 O95342 1/20 0.44
PTGS1 P23219 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGS2 P35354 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL30934865 0.86 G6PD (0.59) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL4444648 0.86 G6PD (0.59) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL808482 0.84 G6PD (0.57) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL30762619 0.84 G6PD (0.57) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL5965437 0.84 G6PD (0.57) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL5545298 0.84 PARP1 (0.46) G6PDCASP7CASP6ALDH1A1LMNA
SCHEMBL27965749 0.82 G6PD (0.55) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL27902532 0.82 G6PD (0.55) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL6241910 0.82 ABCB11 (0.62) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL11701728 0.82 G6PD (0.55) G6PDCASP7CASP6HMGB1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020109524-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-7550510-B2 Solid phase synthesis of arylretinamides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-06-23 US disclosed
US-20040102650-A1 Solid phase synthesis of arylretinamides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-27 US disclosed
US-6696606-B2 REACTING HEXACHLOROACETONE WITH TRIPHENYLPHOSPHINE; CHLORINATION OF RETINOIC ACID; THEN AROMATIC AMINE; ANTICANCER AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-24 US disclosed
US-20030105164-A1 Solid phase synthesis of arylretinamides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-05 US disclosed
WO-2003003987-A2 SOLID PHASE SYNTHESIS OF ARYLRETINAMIDES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-01-16 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 (2 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-20040102650-A1 Solid phase synthesis of arylretinamides RARA, LRAT, NR2E3 G6PD 2705/4885CASP7 70/4885CASP6 90/4885
US-20030105164-A1 Solid phase synthesis of arylretinamides RARA, LRAT, NR2E3 G6PD 2705/4885CASP7 70/4885CASP6 90/4885

“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.