SCHEMBL15939636

SCHEMBL15939636

Cc1cc(Cc2c(O)ccc(C)c2I)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.62
CYP2C9 P11712 7/20 0.60
CYP2C19 P33261 7/20 0.60
HIF1A Q16665 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2D6 P10635 3/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 4/20 0.46
TYR P14679 2/20 0.46
CA2 P00918 2/20 0.46
POLB P06746 1/20 0.46
AMY1A P0DUB6 1/20 0.43
TP53 P04637 3/20 0.37
CYP1A2 P05177 3/20 0.36
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
LMNA P02545 4/20 0.33
ALOX15 P16050 3/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL29650132 0.89 HSPA5 (0.66) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL4584268 0.89 HSPA5 (0.66) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7663191 0.79 HSPA5 (0.69) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29351672 0.78 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29415372 0.78 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL34162 0.78 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL722580 0.78 HSPA5 (0.77) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29357108 0.77 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29410654 0.77 HSPA5 (0.96) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11247674 0.77 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2

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-9023308-B2 Facile synthesis of graphene, graphene derivatives and abrasive nanoparticles and their various uses, including as tribologically-beneficial lubricant additives PEERLESS WORLDWIDE, LLC (US) 2015-05-05 US disclosed
US-20140227211-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES PEERLESS WORLDWIDE, LLC (US) 2014-08-14 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-20140227211-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES GRN, CCNO, TELO2 HSPA5 931/4885CYP2C9 2454/4885CYP2C19 3017/4885

“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.