SCHEMBL3217833

SCHEMBL3217833

C#CC(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.47
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF11 P52732 1/20 0.37
CYP19A1 P11511 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
SCHEMBL11479898 0.94 KCNN4 (0.43) KCNN4KCNE1KCNQ1SMN1; SMN2HTT
SCHEMBL202283 0.92 RAB9A (0.43) KCNN4KCNE1KCNQ1SMN1; SMN2HTT
SCHEMBL11485302 0.90 KCNN4 (0.40) KCNN4KCNE1KCNQ1L3MBTL1ALDH1A1
SCHEMBL362964 0.87 TSHR (0.43) KCNN4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL7032980 0.84 ALDH1A1 (0.56) ALDH1A1RAB9ACYP3A4CYP2D6KIF11
Morpholine SCHEMBL2016752 0.83 CYP2D6 (0.43) KCNN4KCNE1KCNQ1SMN1; SMN2HTT
SCHEMBL8120662 0.83 KCNN4 (0.47) KCNN4ALDH1A1RAB9AKIF11CYP19A1
SCHEMBL4041575 0.82 KCNN4 (0.38) KCNN4KCNE1KCNQ1HTTALDH1A1
Alcohol SCHEMBL7269785 0.82 ALDH1A1 (0.45) KCNN4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7734271 0.82 CYP2C9 (0.48) ALDH1A1RAB9ACYP2C9KIF11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159966-B2 Catalyst complexes with carbene ligand and method for making same and use in metathesis reaction GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2018-12-25 US disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 US disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 US disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 US disclosed
EP-2943499-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION Guangming Innovation Company (Wuhan) (CN) 2015-11-18 EP disclosed
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
WO-2014108071-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-07-17 WO disclosed
EP-2651914-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8436184-B2 6-(biphenyl-ester)-3H-naphtho[2,1-b]pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 2013-05-07 US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2010-02-18 US disclosed
US-7481955-B2 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL, INC. (US) 2009-01-27 US disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 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 (4 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-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, CBR1, NR0B2 KCNN4 1794/4885KCNE1 2674/4885KCNQ1 3308/4885
US-10159966-B2 Catalyst complexes with carbene ligand and method for making same and use in metathesis reaction MSMO1, ALOX12, SQLE KCNN4 2133/4885KCNE1 3244/4885KCNQ1 4588/4885
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION MSMO1, ALOX12, SQLE KCNN4 2133/4885KCNE1 3244/4885KCNQ1 4588/4885
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 KCNN4 2033/4885KCNE1 2862/4885KCNQ1 1838/4885

“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.