SCHEMBL18694713

SCHEMBL18694713

CCC(CC)NC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)NC(CC)CC)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 5/20 0.47
▸ TAS1R1 Q7RTX1 5/20 0.47
▸ TAS1R2 Q8TE23 2/20 0.47
▸ HTT P42858 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ FPR1 P21462 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CA12 O43570 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
SCHEMBL30195119 0.88 MEN1 (0.54) HTTCYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL1897757 0.83 ALDH1A1 (0.40) TAS1R3TAS1R1CYP1A2ALDH1A1
SCHEMBL31373087 0.83 ALDH1A1 (0.40) TAS1R3TAS1R1CYP1A2ALDH1A1
SCHEMBL9511408 0.82 CYP1A2 (0.39) TAS1R3TAS1R1TAS1R2CYP1A2SMN1; SMN2
SCHEMBL823146 0.82 CYP1A2 (0.48) HTTCYP1A2MEN1KMT2AALDH1A1
SCHEMBL22283351 0.79 CYP1A2 (0.48) HTTCYP1A2LMNAKMT2AALDH1A1
SCHEMBL15422370 0.79 CYP1A2 (0.38) TAS1R3TAS1R1CYP1A2KMT2A
SCHEMBL27201021 0.77 CYP1A2 (0.37) TAS1R3TAS1R1TAS1R2HTTCYP1A2
SCHEMBL4313304 0.76 TACR3 (0.41) TAS1R3TAS1R1KMT2AALDH1A1L3MBTL1
SCHEMBL9404064 0.76 CYP1A2 (0.54) CYP1A2LMNAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126470-B1 PERYLENE-BASED MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS SONY CORP (JP) 2020-11-04 — — EP disclosed
US-9978951-B2 Perylene-based materials for organic photoelectric conversion layers SONY CORPORATION (JP) 2018-05-22 — — US disclosed
US-20170104162-A1 PERYLENE-BASED MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS SONY CORPORATION (JP) 2017-04-13 — — 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-20170104162-A1 PERYLENE-BASED MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS JUP, EPCAM, L1CAM TAS1R3 2168/4885TAS1R1 3112/4885TAS1R2 2222/4885

“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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