SCHEMBL17836986

SCHEMBL17836986

CC(C)(O)c1ccc2ccccc2c1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KCNJ11 Q14654 4/20 0.35
▸ ABCC9 O60706 2/20 0.35
▸ ABCC8 Q09428 2/20 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
SCHEMBL17841035 0.79 ALDH1A1 (0.42) HSD17B10HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL14063310 0.77 HSD17B10 (0.45) HSD17B10HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL10384451 0.76 DNMT1 (0.50) HSD17B10CYP1A2HIF1ADNMT1POLB
SCHEMBL20927613 0.76 TDP1 (0.39) HSD17B10HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13248659 0.76 HSD17B10 (0.42) HSD17B10HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL9270026 0.75 DHFR (0.42) HSD17B10HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL13966913 0.75 CYP2A6 (0.48) HSD17B10HPGDCYP1A2DNMT1POLB
SCHEMBL29674891 0.75 CYP2A6 (0.48) HSD17B10HPGDCYP1A2DNMT1POLB
SCHEMBL2132427 0.74 CYP2C9 (0.42) HSD17B10HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL17836983 0.73 WDR5 (0.50) HPGDDNMT1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 HSD17B10 901/4885HPGD 2466/4885CYP1A2 738/4885

“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.

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