SCHEMBL6627005

SCHEMBL6627005

CCO/C(C)=N/OCCCBr

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
TBXAS1 P24557 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6627009 1.00 ALDH1A1 (0.31) ALDH1A1TRPA1TBXAS1LMNAHSD17B10
SCHEMBL952398 0.94 TBXAS1 (0.35) ALDH1A1TRPA1TBXAS1
SCHEMBL952400 0.94 TBXAS1 (0.35) ALDH1A1TRPA1TBXAS1
SCHEMBL3121422 0.88 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL3121426 0.88 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL8425276 0.88 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL8509399 0.78 CYP1A2 (0.38) ALDH1A1TBXAS1
SCHEMBL9099555 0.78 CYP1A2 (0.38) ALDH1A1TBXAS1
SCHEMBL17337617 0.78 DGKA (0.47) ALDH1A1TBXAS1HSD17B10
SCHEMBL17337618 0.78 DGKA (0.47) ALDH1A1TBXAS1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889042-B1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-05-06 EP disclosed
US-20040053990-A1 Radicicol derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 2004-03-18 US disclosed
US-6635662-B2 A 2-oxime derivative; antitumor and -carcinogenic agents; immunosuppressents; osteoporosis; enzyme inhibitors of tyrosine kinase activity KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-21 US disclosed
US-6316491-B1 INHIBITORS OF TYROSINE KINASE USED AS ANTITUMOR OR IMMUNOSUPPRESSION AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-13 US disclosed
US-20010027208-A1 Radicicol derivatives INO YOJI (JP) 2001-10-04 US disclosed
US-6239168-B1 ANTITUMOR AGENTS, IMMUNOSUPPRESSANTS; TYROSINE KINASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-05-29 US disclosed
EP-0889042-A1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-01-07 EP 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-20040053990-A1 Radicicol derivatives ROS1, LYN, SRC ALDH1A1 2166/4885TRPA1 2475/4885TBXAS1 2656/4885
US-20010027208-A1 Radicicol derivatives ROS1, LYN, SRC ALDH1A1 2325/4885TRPA1 2446/4885TBXAS1 2605/4885

“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.