SCHEMBL15829348

SCHEMBL15829348

CC(C)(C)c1cc2cc(OC(F)(F)F)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.56
▸ MAOA P21397 1/20 0.46
▸ F2RL3 Q96RI0 1/20 0.43
▸ FFAR4 Q5NUL3 5/20 0.40
▸ STS P08842 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GPR3 P46089 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36

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
SCHEMBL13923568 0.81 CYP2A6 (0.53) MAOBCA12CA1CA9KDM4E
SCHEMBL13471706 0.80 PIM1 (0.59) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL27349246 0.77 PIM1 (0.71) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL18935987 0.77 PIM1 (0.59) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL2056160 0.76 PIM1 (0.55) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL18115400 0.75 PIM1 (0.72) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL4790661 0.74 CA12 (0.46) F2RL3STSNPC1RAB9ACA12
SCHEMBL28190784 0.74 PIM1 (0.52) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL2792646 0.73 PIM1 (0.55) PIM1MAOAF2RL3FFAR4FFAR1
SCHEMBL25003382 0.73 CA12 (0.58) STSMAOBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — 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 (8 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3612/4885MAOA 4106/4885F2RL3 3202/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3612/4885MAOA 4106/4885F2RL3 3202/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3612/4885MAOA 4106/4885F2RL3 3202/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3612/4885MAOA 4106/4885F2RL3 3202/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP PIM1 3807/4885MAOA 4249/4885F2RL3 3139/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3584/4885MAOA 4094/4885F2RL3 3210/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PIM1 3612/4885MAOA 4106/4885F2RL3 3202/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 PIM1 3728/4885MAOA 4086/4885F2RL3 3231/4885

“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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