SCHEMBL3088005

SCHEMBL3088005

CCCCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCCCCCCC)s3)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 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
SCHEMBL17914320 0.92 MAPT (0.42) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL14111397 0.91 DPP4 (0.38) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL3074316 0.91 DPP4 (0.38) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL4914091 0.90 DPP4 (0.37) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL3081615 0.90 DPP4 (0.37) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL4912978 0.90 DPP4 (0.37) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL21332546 0.88 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL13299921 0.87 MEN1 (0.33) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL12884261 0.86 MEN1 (0.37) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL3685554 0.86 KCNH2 (0.36) ALDH1A1HSD17B10MEN1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS DAI NIPPON PRINTING CO., LTD. (JP) 2010-09-09 US disclosed
US-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS DAI NIPPON PRINTING CO., LTD. (JP) 2010-09-09 US disclosed
US-20100224508-A1 Ink composition for sensing carbon dioxide gas, carbon dioxide indicator using the same, package provided with the carbon dioxide indicator, and method for sensing pinhole using the same TOPPAN PRINTING CO., LTD. (JP) 2010-09-09 US disclosed
US-20070045613-A1 Organic semiconductor material, Organic semiconductor structure and Organic semiconductor apparatus DAI NIPPON PRINTING CO., LTD. (JP) 2007-03-01 US disclosed
US-20070045613-A1 Organic semiconductor material, Organic semiconductor structure and Organic semiconductor apparatus DAI NIPPON PRINTING CO., LTD. (JP) 2007-03-01 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-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS TST, OSTC, LATS2 ALDH1A1 2767/4885HSD17B10 3333/4885MEN1 3136/4885

“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.