SCHEMBL9950485

SCHEMBL9950485

Oc1ccc2ccccc2c1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.48
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.44
USP2 O75604 1/20 0.44
PAK1 Q13153 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL16985137 0.84 KDM4E (0.46) KDM4EMAPTHSP90AA1POLBTDP1
SCHEMBL31010726 0.84 HSP90AA1 (0.48) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL22658235 0.84 HSP90AA1 (0.48) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL214870 0.82 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL6403846 0.82 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL29360295 0.82 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL22127134 0.82 HSP90AA1 (0.53) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL25505497 0.82 LMNA (0.46) KDM4EMAPTMAPK1L3MBTL1NPC1
SCHEMBL23581959 0.81 CYP1A2 (0.52) NSD2OPRM1OPRD1HKDC1KDM4E
SCHEMBL29467237 0.81 CYP1A2 (0.52) NSD2OPRM1OPRD1HKDC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 US disclosed
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-8604224-B2 Benzo[b]naphtho[1,2-d]furan compound as light-emitting element material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-12-10 US disclosed
WO-2012090888-A1 ORGANOBORON COMPOUND AND METHOD FOR MANUFACTURING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-05 WO disclosed
WO-2012090970-A1 BENZO[b]NAPHTHO[1,2-d]FURAN COMPOUND AS LIGHT-EMITTING ELEMENT MATERIAL SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-05 WO disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165556-A1 Benzo[b]Naphtho[1,2-d]Furan Compound as Light-Emitting Element Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165556-A1 Benzo[b]Naphtho[1,2-d]Furan Compound as Light-Emitting Element Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165556-A1 Benzo[b]Naphtho[1,2-d]Furan Compound as Light-Emitting Element Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 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 (3 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-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same CYP2B6, CBR3, CBR1 NSD2 3263/4885OPRM1 834/4885OPRD1 680/4885
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 NSD2 260/4885OPRM1 165/4885OPRD1 428/4885
US-20120165556-A1 Benzo[b]Naphtho[1,2-d]Furan Compound as Light-Emitting Element Material CYP1B1, CTNND1, CTNNB1 NSD2 1242/4885OPRM1 1723/4885OPRD1 435/4885

“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.