SCHEMBL10001802

SCHEMBL10001802

C1=C(c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccccc23)c2ccccc2CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL10001801 0.92 HSD17B1 (0.37) NQO2HSD17B1HSD17B2PRKDC
SCHEMBL12156773 0.81 — —
SCHEMBL10001805 0.78 CYP11B2 (0.43) RAB9ABCHEACHE
SCHEMBL14505904 0.76 HSD17B1 (0.50) NQO2HSD17B1HSD17B2MEN1POLB
SCHEMBL14089589 0.76 HSD17B1 (0.50) NQO2HSD17B1HSD17B2MEN1POLB
SCHEMBL14505911 0.74 NQO2 (0.48) NQO2HSD17B1HSD17B2MEN1POLB
SCHEMBL22293552 0.73 ALDH1A1 (0.36) MEN1POLBRAB9AKMT2A
SCHEMBL459641 0.73 CES1 (0.40) RAB9AKDM4ELMNA
SCHEMBL29987608 0.73 CES1 (0.40) RAB9AKDM4ELMNA
SCHEMBL26173111 0.72 CA12 (0.34) HSD17B1HSD17B2CA12CA1CA2

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-9150536-B2 Cycloalkene derivatives and organic electronic devices using the same LG CHEM, LTD. (KR) 2015-10-06 — — US disclosed
US-9150536-B2 Cycloalkene derivatives and organic electronic devices using the same LG CHEM, LTD. (KR) 2015-10-06 — — US disclosed
US-20120037892-A1 NOVEL CYCLOALKENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICES USING THE SAME LG CHEM, LTD. (KR) 2012-02-16 — — US disclosed
US-20120037892-A1 NOVEL CYCLOALKENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICES USING THE SAME LG CHEM, LTD. (KR) 2012-02-16 — — 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-20120037892-A1 NOVEL CYCLOALKENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICES USING THE SAME DDT, ICMT, ESD NQO2 1503/4885HSD17B1 751/4885HSD17B2 578/4885

“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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