SCHEMBL1611701

SCHEMBL1611701

CCCCCCC[CH]c1c(C)ccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
HTT P42858 5/20 0.34
GALR3 O60755 2/20 0.34
POLB P06746 2/20 0.34
ATM Q13315 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
PAX8 Q06710 1/20 0.34
NR2F2 P24468 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL1610856 1.00 TSHR (0.35) TSHRNPC1RAB9AHTTGALR3
SCHEMBL1610004 0.98 NPC1 (0.32) TSHRNPC1RAB9AHTTGALR3
SCHEMBL1611702 0.92 CYP3A4 (0.32) TSHRCYP2D6
SCHEMBL1610279 0.84
SCHEMBL1610792 0.82 KCNH2 (0.38) TSHRHTTKDM4EMAPTFAAH
SCHEMBL1610975 0.82 TSHR (0.41) TSHRFAAHTRPV1CCR5
SCHEMBL1611028 0.82 TSHR (0.41) TSHRFAAHTRPV1CCR5
SCHEMBL1611045 0.82 KCNH2 (0.38) TSHRHTTKDM4EMAPTFAAH
SCHEMBL3111748 0.80 TLR8 (0.38) TSHRKDM4EMAPTFAAH
SCHEMBL1611023 0.80 TSHR (0.38) TSHRFAAHTRPV1CCR5

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 TSHR 2994/4885NPC1 3543/4885RAB9A 3050/4885

“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.