SCHEMBL14763568

SCHEMBL14763568

CC1=C(C)N(c2c(Br)cccc2Br)CS1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14763651 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15953526 0.85 ALDH1A1 (0.41) ALDH1A1
SCHEMBL14763850 0.81 MYC (0.33)
SCHEMBL14763828 0.76
Hydrochloric Acid SCHEMBL2523592 0.74 CRHBP (0.42) ALDH1A1
SCHEMBL14763792 0.73 MEN1 (0.32) ALDH1A1
SCHEMBL15952821 0.71 BRD9 (0.33) ALDH1A1
SCHEMBL15953389 0.70 CYP2A6 (0.35) ALDH1A1
SCHEMBL14763823 0.70
Hydrochloric Acid SCHEMBL1697541 0.69 SIGMAR1 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
CN-103781752-A Method for producing alpha-hydroxy ketone compound SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
WO-2013035650-A9 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-13 WO disclosed
WO-2013035650-A1 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-14 WO 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-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND HSD17B7, BCKDK, HSD11B1 ALDH1A1 98/4885

“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.