SCHEMBL1777917

SCHEMBL1777917

CCCCC(CC)COc1ccc(Br)cc1OCC(CC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 5/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL25953068 0.90 ALDH1A1 (0.43) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL28083440 0.84 CYP3A4 (0.43) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL4268288 0.83 LMNA (0.40) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL17403685 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL30130307 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL2053675 0.81 CYP3A4 (0.43) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL24721811 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL30036492 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL13816765 0.81 ALDH1A1 (0.35) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL1777606 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1CYP3A4CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027596-B1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI SPA (IT) 2018-11-21 EP disclosed
US-9776984-B2 Compounds containing a pentalene unit and process for their preparation ENI S.P.A. (IT) 2017-10-03 US disclosed
US-9776984-B2 Compounds containing a pentalene unit and process for their preparation ENI S.P.A. (IT) 2017-10-03 US disclosed
US-9776984-B2 Compounds containing a pentalene unit and process for their preparation ENI S.P.A. (IT) 2017-10-03 US disclosed
EP-3027596-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.p.A. (IT) 2016-06-08 EP disclosed
US-20160090371-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.P.A. (IT) 2016-03-31 US disclosed
US-20160090371-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.P.A. (IT) 2016-03-31 US disclosed
US-20160090371-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.P.A. (IT) 2016-03-31 US disclosed
WO-2015015368-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.P.A. (IT) 2015-02-05 WO disclosed
WO-2015015368-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI S.P.A. (IT) 2015-02-05 WO disclosed
WO-2008039529-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-03 WO disclosed
US-7208122-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-24 US disclosed
US-20070081921-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-12 US disclosed
US-20060120917-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
US-20060120923-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
EP-1080162-B1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INST TECHNOLOGY (US) 2004-03-10 EP disclosed
US-20030178607-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-09-25 US disclosed
EP-1281744-A2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-02-05 EP disclosed
EP-1080162-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-07 EP disclosed
WO-1999057222-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-11-11 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 (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-20160090371-A1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION C1S, SCLY, C1R ALDH1A1 1691/4885MAPK1 1755/4885CYP3A4 4133/4885

“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.