SCHEMBL1602111

SCHEMBL1602111

c1ccc(Cc2ccc3occc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.53
IDO1 P14902 2/20 0.48
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
CYP2A6 P11509 2/20 0.46
CALM1 P0DP23 1/20 0.44
IDH1 O75874 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL19117575 0.87 HTR1B (0.51) HTR1BIDO1CTNNB1WNT3ACYP2A6
SCHEMBL1602247 0.85 HTR1B (0.53) HTR1BIDO1CTNNB1WNT3ACALM1
SCHEMBL4440636 0.85 HTR1B (0.49) HTR1BIDO1CTNNB1WNT3ACYP2A6
SCHEMBL1602149 0.84 HTR1B (0.55) HTR1BCTNNB1WNT3ACYP2A6EPM2A
SCHEMBL1602846 0.84 HTR1B (0.51) HTR1BIDO1CTNNB1WNT3ACYP2A6
SCHEMBL1603461 0.83 HTR1B (0.48) HTR1BIDO1CTNNB1WNT3AMRGPRX4
SCHEMBL4440531 0.82 HTR1B (0.46) HTR1BIDO1CTNNB1WNT3AMRGPRX4
SCHEMBL6192555 0.81 CYP2A6 (0.41) HTR1BIDO1CTNNB1WNT3ACYP2A6
SCHEMBL6214520 0.79 CYP2A6 (0.42) HTR1BIDO1CTNNB1WNT3ACYP2A6
SCHEMBL20991100 0.79 HTR1B (0.50) HTR1BIDO1CTNNB1WNT3ACYP2A6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-20080064677-A9 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2008-03-13 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 WO disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 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 (5 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885IDO1 240/4885CTNNB1 1757/4885
US-20080064677-A9 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885IDO1 240/4885CTNNB1 1757/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885IDO1 240/4885CTNNB1 1757/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885IDO1 240/4885CTNNB1 1757/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA HTR1B 1595/4885IDO1 4369/4885CTNNB1 664/4885

“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.