SCHEMBL2837648

SCHEMBL2837648

CCCCCCCCCc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
HTR2A P28223 2/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL30785014 0.98 FFAR1 (0.59) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL6046904 0.98 FFAR1 (0.59) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL1495032 0.92 FFAR1 (0.61) FFAR1HSD17B10TSHRHTR2AALDH1A1
SCHEMBL687158 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9329731 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9330376 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9330316 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9330328 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9327124 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1
SCHEMBL9328135 0.92 HSD17B10 (0.65) FFAR1HSD17B10TSHRHTR2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990943-A1 An improved liquid crystal display device Centre for Liquid Crystal Research (IN) 2000-04-05 EP claimed
JP-11352525-A None JP disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-2066633-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-10 EP disclosed
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP disclosed
WO-2008030843-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 US disclosed
EP-0990943-B1 An improved liquid crystal display device CT FOR LIQUID CRYSTAL RES (IN) 2007-08-22 EP disclosed
US-6558759-B2 Formed with pair of transparent substrates, each having one of surfaces coated with transparent electroconductive material serving as electrode, nematic discotic material having negative anisotropy is sandwiched between forming cell CENTRE FOR LIQUID CRYSTAL RESEARCH (ID) 2003-05-06 US disclosed
US-20010046568-A1 Liquid crystal display device CENTRE FOR LIQUID CRYSTAL RESEARCH (IN) 2001-11-29 US disclosed
EP-0990943-A1 An improved liquid crystal display device Centre for Liquid Crystal Research (IN) 2000-04-05 EP disclosed
JP-H11352525-A LIQUID CRYSTAL DISPLAY DEVICE CENTER FOR LIQUID CRYSTAL RES 1999-12-24 JP 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 (1 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-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY S1PR4, S1PR3, S1PR1 FFAR1 23/4885HSD17B10 2161/4885TSHR 397/4885

“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.