SCHEMBL12232196

SCHEMBL12232196

C=Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 3/20 0.48

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
SCHEMBL94986 0.87 ALDH1A1 (0.85) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL7253512 0.81 ALDH1A1 (0.85) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL7252897 0.80 HPGD (0.83) ALDH1A1KMT2AHPGDCYP1A2CYP2C9
SCHEMBL5621143 0.78 ALDH1A1 (1.00) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL15151528 0.75 KMT2A (0.48) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL7252775 0.74 KMT2A (0.66) ALDH1A1KMT2APOLBHPGDRAB9A
SCHEMBL15151529 0.74 ALDH1A1 (0.49) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL16256716 0.74 HPGD (0.49) ALDH1A1KMT2APOLBHPGDCYP1A2
SCHEMBL7258078 0.73 HPGD (0.83) ALDH1A1HPGDRAB9ANPC1TSHR
SCHEMBL4464908 0.73 ALDH1A1 (0.82) ALDH1A1KMT2APOLBHPGDCYP1A2

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-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 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-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 ALDH1A1 1200/4885KMT2A 2834/4885POLB 966/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 ALDH1A1 484/4885KMT2A 2332/4885POLB 999/4885

“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.