SCHEMBL1609690

SCHEMBL1609690

[C]#CCCCCc1c2ccccc2cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HTR2A P28223 1/20 0.46
CYP1A2 P05177 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2A6 P11509 1/20 0.33
POLB P06746 2/20 0.33
GPR35 Q9HC97 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.32
GLA P06280 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL1610853 0.98 L3MBTL1 (0.44) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL1611934 0.98 L3MBTL1 (0.44) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL1610412 0.95 L3MBTL1 (0.47) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL1612253 0.87 HTR2A (0.50) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL7875750 0.84 HTR2A (0.60) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL7874386 0.82 HTR2A (0.58) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL7877797 0.82 HTR2A (0.58) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL3741407 0.82 L3MBTL1 (0.46) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL7877776 0.80 HTR2A (0.60) L3MBTL1HTR2ACYP1A2ALDH1A1HSD17B10
SCHEMBL1611544 0.78 MTNR1A (0.36) ALDH1A1KDM4EGAA

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 L3MBTL1 236/4885HTR2A 599/4885CYP1A2 125/4885

“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.