SCHEMBL5862952

SCHEMBL5862952

CCCCCCN(CCCCCC)c1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
PLK1 P53350 4/20 0.45
PTPN11 Q06124 2/20 0.45
ICMT O60725 1/20 0.44
ALB P02768 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL9303599 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBGAAAGTR1
SCHEMBL3784268 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAAAGTR1
SCHEMBL3691710 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBGAAAGTR1
Hydrochloric Acid SCHEMBL15209621 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBGAAAGTR1
SCHEMBL6567779 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL6566239 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL6568014 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL6567797 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL6568005 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL6567311 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 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 (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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 ALDH1A1 838/4885KDM4E 3055/4885POLB 3916/4885

“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.