SCHEMBL5990841

SCHEMBL5990841

COc1cc(CNC=O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL1486251 0.86 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2POLBKDM4E
SCHEMBL2780708 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL3310620 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2ADH1BADH1CADH1A
SCHEMBL30037244 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL16973506 0.81 MTNR1A (0.47) SMN1; SMN2POLB
SCHEMBL20526456 0.81 ALDH1A1 (0.54) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL16508324 0.80 ADH1B (0.50) HTR7LMNAPOLBADH1BADH1C
SCHEMBL3306706 0.80 KDM1A (0.49) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL17503878 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBADH1BADH1C
SCHEMBL15836428 0.79 HTR7 (0.52) HTR7ALDH1A1LMNASMN1; SMN2POLB

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-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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 (2 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HTR7 1266/4885ALDH1A1 2496/4885LMNA 4658/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HTR7 950/4885ALDH1A1 560/4885LMNA 1034/4885

“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.