SCHEMBL1897757

SCHEMBL1897757

CCCCCCC(CCCCCC)NC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)NC(CCCCCC)CCCCCC)c1c25)c43

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ TAS1R3 Q7RTX0 5/20 0.40
▸ TAS1R1 Q7RTX1 5/20 0.40
▸ PLA2G2C Q5R387 1/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ PPARA Q07869 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ GPR84 Q9NQS5 3/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PPARG P37231 1/20 0.36

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
SCHEMBL31373087 1.00 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1PLA2G2CTACR3
SCHEMBL4313304 0.92 TACR3 (0.41) ALDH1A1TAS1R3TAS1R1TACR3CNR2
SCHEMBL18694713 0.83 TAS1R3 (0.47) ALDH1A1TAS1R3TAS1R1CYP1A2
SCHEMBL8975870 0.82 TAS1R3 (0.38) TAS1R3TAS1R1PLA2G2CTACR3
SCHEMBL4639171 0.81 MLYCD (0.52) ALDH1A1TAS1R3TAS1R1CNR2CYP1A2
SCHEMBL8975448 0.81 TAS1R3 (0.37) TAS1R3TAS1R1PLA2G2CTACR3
SCHEMBL8883577 0.80 TAS1R3 (0.36) TAS1R3TAS1R1TACR3CNR2
SCHEMBL418872 0.80 NAAA (0.54) ALDH1A1
SCHEMBL14823376 0.80 NAAA (0.54) ALDH1A1
SCHEMBL29850750 0.80 NAAA (0.54) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947837-B2 dimeric and polymeric compounds based upon fused ring tetracarboxylic imides, used as electronic thin films on substrates; transistors POLYERA CORPORATION (US) 2011-05-24 — — US disclosed
US-20080167435-A1 Organic semiconductor materials and methods of preparing and use thereof USINVEST LLC 2008-07-10 — — 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-20080167435-A1 Organic semiconductor materials and methods of preparing and use thereof PNN, NBAS, PIEZO1 ALDH1A1 4173/4885TAS1R3 2836/4885TAS1R1 2907/4885

“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.

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