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SCHEMBL15280333

SCHEMBL15280333

Cc1ccc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.50
▸ CYP2A6 P11509 5/20 0.50
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NCK1 P16333 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL15298750 0.96 CYP1A2 (0.50) CYP1A2CYP2A6TDP1FLT3NCK1
SCHEMBL17208923 0.86 CYP1A2 (0.43) CYP1A2CYP2A6TDP1FLT3NCK1
SCHEMBL31670075 0.83 CYP2A6 (0.52) CYP1A2CYP2A6TDP1RAB9ACA9
SCHEMBL17208918 0.79 CYP2A6 (0.42) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL13043497 0.78 ACHE (0.44) TDP1KMT2AMEN1RAB9ACA9
SCHEMBL190598 0.76 NCEH1 (0.47) CYP1A2CYP2A6TDP1KMT2AFLT3
SCHEMBL30707138 0.76 CYP1A2 (0.35) CYP1A2CYP2A6TDP1FLT3ESR1
SCHEMBL15280121 0.76 ACHE (0.52) TDP1KMT2AMEN1LMNA
SCHEMBL12054396 0.74 CYP2A6 (0.67) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL12054398 0.74 CYP2A6 (0.67) CYP1A2CYP2A6TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 — — US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 — — US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 — — US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 — — US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 — — WO 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885CYP2A6 1430/4885TDP1 2750/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH CYP1A2 566/4885CYP2A6 1195/4885TDP1 1536/4885

“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.