SCHEMBL4159527

SCHEMBL4159527

COc1cc(Cl)c(Cl)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
HTR1A P08908 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 2/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4179556 0.88 GAA (0.50) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL22595830 0.88 HTR2A (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL4154416 0.84 TSHR (0.47) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL4856785 0.84 LMNA (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL31021971 0.82 HTR2A (0.41) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL19703128 0.82 HTR2A (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL29890126 0.82 MAPT (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL30467661 0.82 HTR2A (0.41) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL16290544 0.82 MAPT (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL9938823 0.82 NPC1 (0.67) GAANPC1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B GAA 2939/4885NPC1 474/4885HTR2A 2065/4885

“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.