SCHEMBL354096

SCHEMBL354096

CC(C)(C)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36
NR1I2 O75469 1/20 0.36
NQO1 P15559 1/20 0.34
CYP1A2 P05177 6/20 0.34
HPGD P15428 2/20 0.34
CYP2A6 P11509 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 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
SCHEMBL27686228 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL3420318 0.98 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL11377784 0.81 NQO1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL4124570 0.80 HSD17B10 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL15910482 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL15910481 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL9624177 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL27830907 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL22351869 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL6135772 0.77 ESR1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1TDP1

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-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME KEIO UNIVERSITY (JP) 2012-01-19 US disclosed
EP-2383273-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME Sumitomo Chemical Company, Limited (JP) 2011-11-02 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-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME CCKBR, CCKAR, NPY2R ALDH1A1 1585/4885HSD17B10 617/4885HIF1A 1561/4885

“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.