SCHEMBL346690

SCHEMBL346690

COc1ccc(C(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
KMT2A Q03164 11/20 0.59
MAPT P10636 5/20 0.59
GFER P55789 1/20 0.59
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL11100935 0.95 LMNA (0.58) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11106255 0.95 LMNA (0.58) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29009176 0.90 KMT2A (0.61) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2838573 0.90 KMT2A (0.61) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7591660 0.90 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9666088 0.90 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12633724 0.90 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12608584 0.90 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11249046 0.87 CA1 (0.62) LMNASMN1; SMN2CA1CA2KMT2A
SCHEMBL533392 0.85 PRSS1 (0.59) LMNACYP1A2CYP2C9SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
EP-1960494-B1 LIGHT MODULATING MATERIAL AND LIGHT MODULATING METHOD FUJIFILM CORP (JP) 2010-10-06 EP disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7780870-B2 Liquid crystal composition, liquid crystal element, and siloxane polymer FUJIFILM CORPORATION (JP) 2010-08-24 US disclosed
US-20080152843-A1 Liquid Crystal Composition, Liquid Crystal Element, and Siloxane Polymer FUJIFILM CORPORATION (JP) 2008-06-26 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 LMNA 4674/4885CYP1A2 1339/4885CYP2C9 761/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 LMNA 1909/4885CYP1A2 565/4885CYP2C9 682/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 LMNA 2785/4885CYP1A2 851/4885CYP2C9 617/4885

“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.