SCHEMBL16835

SCHEMBL16835

CCC1(COS(=O)(=O)c2ccc(C)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 7/20 0.38
GAA P10253 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
VDR P11473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL18218 0.97 KMT2A (0.47) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL17442 0.95 KMT2A (0.46) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL11637311 0.92 KMT2A (0.47) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL7849587 0.87 KMT2A (0.50) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL8598041 0.87 CYP3A4 (0.46) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL15979027 0.87 KMT2A (0.37) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL30140023 0.86 KMT2A (0.42) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL18047923 0.85 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL18334492 0.85 KMT2A (0.41) KMT2ASMN1; SMN2STAT3ALDH1A1GAA
SCHEMBL12246564 0.84 ALDH1A1 (0.40) KMT2ASMN1; SMN2STAT3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO 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 (2 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-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES RORB, RORC, RORA KMT2A 2042/4885SMN1; SMN2 3453/4885STAT3 316/4885
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases RORB, RORC, RORA KMT2A 2042/4885SMN1; SMN2 3453/4885STAT3 316/4885

“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.