SCHEMBL2427468

SCHEMBL2427468

O=C(O)c1ccc2c3c(Cl)c(Cl)c(C(=O)O)c4c(C(=O)O)c(Cl)c(Cl)c(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DPP4 P27487 1/20 0.32
NR4A1 P22736 1/20 0.32
PBRM1 Q86U86 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3090897 0.91 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL10934546 0.85 CYP1A2 (0.40) CYP1A2TSHRSMN1; SMN2CASP1CSNK2A2
SCHEMBL10929141 0.81 CYP1A2 (0.33) CYP1A2
SCHEMBL4659349 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL1973366 0.81 CYP1A2 (0.39) CYP1A2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL3084203 0.80 CYP1A2 (0.41) CYP1A2TSHRSMN1; SMN2CASP1CSNK2A2
SCHEMBL3090901 0.76 CYP1A2 (0.41) CYP1A2ALDH1A1TSHRSMN1; SMN2CASP1
SCHEMBL30570438 0.76 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRCSNK2A2CSNK2B
SCHEMBL11328878 0.75 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL29098754 0.75 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960120-B Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2023-06-02 CN claimed
CN-113960120-A Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2022-01-21 CN claimed
CN-104788467-A Preparation method of 1,6,7,12-tetrachloro-3,4,9,10-perylene tetracarboxylic acid dianhydride Kunshan haite plastic pigment co ltd 2015-07-22 CN claimed
CN-113960120-B Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2023-06-02 CN disclosed
CN-113960120-B Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2023-06-02 CN disclosed
CN-113960120-A Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2022-01-21 CN disclosed
CN-113960120-A Sensor material based on perylene diimide, preparation method of sensor and application of sensor material 中国科学院上海微系统与信息技术研究所 2022-01-21 CN disclosed
US-8283469-B2 Perylene diimide derivative and organic semiconductor element using the same material NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-09 US disclosed
US-20110233526-A1 PERYLENE DIIMIDE DERIVATIVE AND ORGANIC SEMICONDUCTOR ELEMENT USING THE SAME MATERIAL NATIONAL TSING HUA UNIVERSITY (TW) 2011-09-29 US disclosed
EP-0260648-A2 Tetrachloroperylene-3,4,9-10-tetracarboxylic acid diimide pigment and its use BASF Aktiengesellschaft (DE) 1988-03-23 EP 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-20110233526-A1 PERYLENE DIIMIDE DERIVATIVE AND ORGANIC SEMICONDUCTOR ELEMENT USING THE SAME MATERIAL PIN1, PPIE, PIN4 CYP1A2 199/4885ALDH1A1 2334/4885TSHR 4814/4885

“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.