SCHEMBL1107761

SCHEMBL1107761

CP(C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 5/20 0.48
HSD17B10 Q99714 5/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 8/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37

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
SCHEMBL517685 0.87 ALDH1A1 (0.53) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL11747361 0.85 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL21224300 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29390280 0.79 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL135987 0.79 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4924845 0.78 ESR1 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15658037 0.78 ALDH1A1 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL11861469 0.77 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15658735 0.77 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL11826715 0.77 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed
US-8216698-B2 Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof FUJIFILM CORPORATION (JP) 2012-07-10 US disclosed
US-8153278-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
CN-101855189-A Process for producing alcohol MITSUBISHI CHEM CORP 2010-10-06 CN disclosed
US-20090267500-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090261721-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, NOVEL PLATINUM COMPLEX COMPOUND AND NOVEL COMPOUND CAPABLE OF BEING A LIGAND THEREOF FUJIFILM CORPORATION (JP) 2009-10-22 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-20090261721-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, NOVEL PLATINUM COMPLEX COMPOUND AND NOVEL COMPOUND CAPABLE OF BEING A LIGAND THEREOF L1CAM, PDCD1LG2, CD274 ALDH1A1 100/4885CYP2A6 3930/4885HSD17B10 2805/4885

“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.