SCHEMBL12587652

SCHEMBL12587652

CCCCCCc1csc(-c2ccc(Br)c3nsnc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.33
▸ RARB P10826 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ PTGS2 P35354 3/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL2608123 0.92 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL852605 0.92 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL14948591 0.92 GPR3 (0.37) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL12587649 0.88 GPR3 (0.34) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL19489976 0.86 RARB (0.35) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL31619164 0.84 GPR3 (0.32) GPR3RARBCA2PTGS2ESR1
SCHEMBL13845374 0.84 GPR3 (0.33) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL18665531 0.82 PTGS2 (0.34) GPR3PTGS2ESR1ADRA2AADORA3
SCHEMBL18665507 0.82 PTGS2 (0.34) GPR3PTGS2ESR1ADRA2AADORA3
SCHEMBL18666095 0.82 PTGS2 (0.34) GPR3PTGS2ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140000696-A1 LOW-BANDGAP RUTHENIUM-CONTAINING COMPLEXES FOR SOLUTION-PROCESSED ORGANIC SOLAR CELLS NANO AND ADVANCED MATERIALS INSTITUTE LIMITE (HK) 2014-01-02 — — US disclosed
US-20110156018-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 — — US 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-20110156018-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CCNL2, ARL1, RIF1 GPR3 1846/4885RARB 3299/4885CA2 2288/4885

“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.

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