SCHEMBL3223780

SCHEMBL3223780

O=C(CO)Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.49
POLB P06746 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR2 Q92731 2/20 0.45
GAPDH P04406 1/20 0.45
ESR1 P03372 1/20 0.45
STAT3 P40763 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL7353467 0.89 HPGD (0.60) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL5045391 0.82 HPGD (0.53) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL1264102 0.82 HPGD (0.53) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL4775992 0.82 HPGD (0.53) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL11167825 0.81
SCHEMBL7537697 0.80 HPGD (0.56) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL11840769 0.80 HPGD (0.51) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL28879909 0.80 TAAR1 (0.53) HPGDALDH1A1CYP2C19RAB9APOLB
Hydrochloric Acid SCHEMBL4775231 0.80 HPGD (0.51) HPGDALDH1A1CYP2C19RAB9APOLB
SCHEMBL15178187 0.79 HPGD (0.50) HPGDALDH1A1CYP2C19RAB9APOLB

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-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 HPGD 1827/4885ALDH1A1 26/4885CYP2C19 1167/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 HPGD 1827/4885ALDH1A1 26/4885CYP2C19 1167/4885

“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.