SCHEMBL12269151

SCHEMBL12269151

Bc1ccc(OCCCC)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FAAH O00519 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.37
KDM1A O60341 2/20 0.36
TLR8 Q9NR97 1/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 1/20 0.36
CYP19A1 P11511 1/20 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
SCHEMBL16104849 0.84 HTR2A (0.38) THRATHRBL3MBTL1S1PR1S1PR3
SCHEMBL16378277 0.83 CYP1A2 (0.44) L3MBTL1GLASMN1; SMN2CYP1A2CYP2C9
SCHEMBL12801465 0.83 KDM1A (0.50) L3MBTL1SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL878692 0.81 FAAH (0.53) THRATHRBL3MBTL1GLASMN1; SMN2
SCHEMBL12165989 0.81 ESR1 (0.53) THRATHRBL3MBTL1GLASMN1; SMN2
SCHEMBL9399572 0.81 S1PR1 (0.49) THRATHRBL3MBTL1GLASMN1; SMN2
Water SCHEMBL27753859 0.81 S1PR4 (0.38) L3MBTL1TDP1S1PR4
SCHEMBL8361632 0.80 MAPT (0.47) THRATHRBL3MBTL1GLASMN1; SMN2
SCHEMBL9399442 0.80 S1PR1 (0.51) THRATHRBL3MBTL1GLASMN1; SMN2
SCHEMBL15171207 0.79 PRKCE (0.46) THRATHRBL3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
EP-3124465-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-02-01 EP disclosed
EP-2980062-A2 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-02-03 EP disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
EP-2848676-A2 Liquid crystal medium Merck Patent GmbH (DE) 2015-03-18 EP disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 US disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
WO-2010095493-A1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EACH COMPRISING SAME チッソ株式会社 (JP) 2010-08-26 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 (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-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 THRA 3203/4885THRB 3037/4885L3MBTL1 4638/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 THRA 3203/4885THRB 3037/4885L3MBTL1 4638/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 THRA 3203/4885THRB 3037/4885L3MBTL1 4638/4885

“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.