SCHEMBL2609182

SCHEMBL2609182

COc1ccc(COCC(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.43
CRHR2 Q13324 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 2/20 0.40
DBH P09172 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 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
SCHEMBL27939594 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTTSHRMAPT
SCHEMBL28021358 0.80 CALM1 (0.52) SMN1; SMN2ALDH1A1HTTTSHRMAPT
SCHEMBL6862682 0.79 ALOX15 (0.51) CRHBPCRHR2SMN1; SMN2DBHMAPT
SCHEMBL31512860 0.79 FOS (0.61) ALDH1A1MAOBTSHRALOX15ALOX12
SCHEMBL116330 0.79 FOS (0.61) ALDH1A1MAOBTSHRALOX15ALOX12
SCHEMBL2608858 0.78 S1PR1 (0.40) ALDH1A1HTTTSHRMAPTALOX15
SCHEMBL13938660 0.78 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2ALDH1A1KDM1A
SCHEMBL647273 0.75 CA1 (0.44) SMN1; SMN2HTTTSHRMAPTCA2
Alcohol SCHEMBL580058 0.75 FOS (0.56) ALDH1A1MAOBTSHRALOX15ALOX12
SCHEMBL11282191 0.74 CA2 (0.68) CRHBPCRHR2SMN1; SMN2ALDH1A1KDM1A

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CRHBP 3252/4885CRHR2 3980/4885SMN1; SMN2 3072/4885

“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.