SCHEMBL1611547

SCHEMBL1611547

CCCCC#Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
MAPT P10636 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR8 Q9NR97 1/20 0.41
KCNH2 Q12809 1/20 0.40
PGK1 P00558 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYSLTR2 Q9NS75 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
SCHEMBL1610812 0.95 KCNH2 (0.45) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1610861 0.94 KCNH2 (0.48) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL16151310 0.93 KCNH2 (0.47) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1611810 0.90 TLR8 (0.50) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1611573 0.85 MAPT (0.45) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1610300 0.81 KCNH2 (0.49) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1612035 0.79 KCNH2 (0.51) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL26260435 0.79 KCNH2 (0.51) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL28365768 0.76 CYP3A4 (0.45) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL1611797 0.75 MEN1 (0.35) MAPTKDM4ECYP1A2TDP1CYP2D6

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
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
US-5272042-A Positive photoresist system for near-UV to visible imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-12-21 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP3A4 517/4885MAPT 3838/4885CYP2C9 823/4885

“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.