SCHEMBL9604555

SCHEMBL9604555

CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(O)ccc4c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.53
ESR1 P03372 11/20 0.53
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDK2 Q15119 2/20 0.48
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46

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
SCHEMBL2965864 0.91 PDK2 (0.43) PDK2
SCHEMBL13700678 0.87 PDK2 (0.60) ESR2ESR1PDK2ABL1ABCB1
SCHEMBL27864761 0.87 LPL (0.44) ESR2ESR1HSD17B1HSD17B2CYP1A2
SCHEMBL26250566 0.84 ESR2 (0.56) ESR2ESR1HSD17B1HSD17B2CYP1A2
SCHEMBL14506088 0.84 ESR2 (0.56) ESR2ESR1HSD17B1HSD17B2CYP1A2
SCHEMBL21383381 0.84 HSD17B1 (0.50) ESR2ESR1HSD17B1HSD17B2CYP1A2
SCHEMBL16025179 0.84 ESR2 (0.41) ESR2ESR1HSD17B1HSD17B2CYP1A2
SCHEMBL29638162 0.84 PDK2 (0.56) ESR2ESR1CYP3A4CYP2C19PDK2
SCHEMBL9936511 0.84 PDK2 (0.56) ESR2ESR1CYP3A4CYP2C19PDK2
SCHEMBL1649136 0.83 PDK2 (0.47) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9331296-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-05-03 US disclosed
US-9331296-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-05-03 US disclosed
US-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-31 US disclosed
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-31 US disclosed
US-20110295047-A1 METHOD FOR PRODUCING COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-12-01 US disclosed
WO-2011122384-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-10-06 WO disclosed
WO-2011018951-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-02-17 WO disclosed
WO-2010061953-A1 METHOD FOR PRODUCING COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-06-03 WO disclosed
US-20100059739-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, IMAGE DISPLAY DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2010-03-11 US disclosed
US-20100059739-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, IMAGE DISPLAY DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2010-03-11 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 (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-20110295047-A1 METHOD FOR PRODUCING COMPOUND ARL1, AR, ARF1 ESR2 441/4885ESR1 698/4885HSD17B1 265/4885
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME PPOX, CYP1A1, CYP3A4 ESR2 70/4885ESR1 9/4885HSD17B1 470/4885

“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.