SCHEMBL2038409

SCHEMBL2038409

CCCCC(CC)COc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CA2 P00918 1/20 0.45
CYP3A4 P08684 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1C3 P42330 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 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
SCHEMBL2038405 1.00 TDP1 (0.63) TDP1LMNATHRBATMABCG2
SCHEMBL423258 0.96 TDP1 (0.59) TDP1LMNATHRBATMABCG2
SCHEMBL17212259 0.90 TDP1 (0.63) TDP1LMNAABCG2TAS1R3TAS1R1
SCHEMBL29090825 0.90 TDP1 (0.57) TDP1LMNATHRBATMABCG2
SCHEMBL1391294 0.89 TDP1 (0.56) TDP1LMNATHRBATMABCG2
SCHEMBL9414106 0.88 TDP1 (0.71) TDP1LMNAABCG2TAS1R3TAS1R1
SCHEMBL10334196 0.88 TDP1 (0.71) TDP1LMNAABCG2TAS1R3TAS1R1
SCHEMBL12936605 0.86 TDP1 (0.73) TDP1LMNAABCG2TAS1R3TAS1R1
SCHEMBL8084721 0.86 THRB (0.50) TDP1THRBATMABCG2TAS1R3
SCHEMBL8084722 0.86 THRB (0.50) TDP1THRBATMABCG2TAS1R3

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
US-4942174-A ALKOXYARYLCARBOXYLIC ACIDS OR ESTERS OR SALTS FOR SKIN DISORDERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-17 US claimed
EP-2509577-B1 NOVEL COMPOUNDS DSM IP ASSETS BV (NL) 2014-08-27 EP disclosed
US-20120282201-A1 NOVEL COMPOUNDS DSM IP ASSETS B.V. (NL) 2012-11-08 US disclosed
EP-2509577-A2 NOVEL COMPOUNDS DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070075-A2 Novel compounds DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
US-4942174-A ALKOXYARYLCARBOXYLIC ACIDS OR ESTERS OR SALTS FOR SKIN DISORDERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-17 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 (1 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-20120282201-A1 NOVEL COMPOUNDS MGLL, DGKZ, DGAT2 TDP1 2150/4885LMNA 2921/4885THRB 2409/4885

“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.