SCHEMBL16170243

SCHEMBL16170243

CCOC(=O)C1(C)Nc2ccc(C)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
ALOX12 P18054 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
ROS1 P08922 1/20 0.41
CDK5 Q00535 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL16163186 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17179169 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2CYP3A4MAPT
SCHEMBL16170250 0.74 KDM4E (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ALOX15
SCHEMBL27188913 0.73 BRD4 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16170247 0.73 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL16170238 0.69 KDM4E (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL16163474 0.69 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11534209 0.68 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL14437450 0.68 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16153701 0.67 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; 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-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 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-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES IPO4, IPO11, IDO2 ALDH1A1 2135/4885CYP1A2 178/4885CYP2C9 447/4885

“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.