SCHEMBL2010435

SCHEMBL2010435

CCCCCCCCc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
GPR3 P46089 1/20 0.42
PRKCG P05129 4/20 0.41
PRKCB P05771 4/20 0.41
PRKCH P24723 4/20 0.41
PRKCE Q02156 4/20 0.41
PRKCQ Q04759 4/20 0.41
PRKCD Q05655 4/20 0.41
PRKCA P17252 3/20 0.41
PRKD3 O94806 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKD1 Q15139 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40

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
SCHEMBL2281531 0.86 THRA (0.44) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL3844078 0.84 THRA (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL23397540 0.78 ACHE (0.47) HTR2AHTR2CTHRATHRBHTR2B
SCHEMBL12827736 0.76 GPR3 (0.39) THRATHRBGPR3KAT8PPARA
SCHEMBL7845549 0.76 FFAR1 (0.40) PPARA
SCHEMBL12828018 0.76 S1PR1 (0.38) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL19883579 0.74 KCNJ1 (0.39) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL4898274 0.74 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL30369240 0.74 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL4900272 0.74 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2099741-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-16 EP disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 HTR2A 284/4885HTR2C 541/4885DRD2 1608/4885

“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.