SCHEMBL6780482

SCHEMBL6780482

CC(C)CO[P](=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.32

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
SCHEMBL699548 0.77
SCHEMBL269160 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6840159 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30421016 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9651022 0.71
SCHEMBL8650693 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL14688739 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
Carbon Monoxide SCHEMBL8651330 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
Carbon Monoxide SCHEMBL8653386 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL20019832 0.69 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP disclosed
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 ALDH1A1 633/4885TSHR 679/4885

“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.