SCHEMBL2601860

SCHEMBL2601860

C[C@@H]1C2CC3C(C2C(=O)O)[C@@H]31

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM2 Q14416 4/20 0.36
▸ GRM3 Q14832 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ PPP5C P53041 1/20 0.35
▸ GRM6 O15303 2/20 0.33
▸ APEX1 P27695 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ TFPI2 P48307 1/20 0.30

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
SCHEMBL12763440 0.80 POLB (0.48) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL16249905 0.80 POLB (0.52) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL16249880 0.78 POLB (0.50) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL13784510 0.74 POLB (0.43) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL7825715 0.73 POLB (0.41) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL13867214 0.73 GRM2 (0.44) POLBTDP1ALDH1A1SLC1A2GRM2
SCHEMBL29143206 0.73 POLB (0.41) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL18177762 0.72 POLB (0.38) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL16249737 0.72 POLB (0.50) POLBTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL29426398 0.72 POLB (0.50) POLBTDP1ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2012-04-19 — — 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-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS HTR5A, HTR1A, HTR2A POLB 4450/4885TDP1 3973/4885ALDH1A1 1118/4885

“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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