SCHEMBL4359805

SCHEMBL4359805

CCCCCCCCCCC1CC(C)COC1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.39
ALOX5 P09917 1/20 0.38
SPHK1 Q9NYA1 7/20 0.36
SPHK2 Q9NRA0 6/20 0.36
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GBA1 P04062 3/20 0.30
CYP1A2 P05177 2/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 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
SCHEMBL4353005 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4358138 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4364660 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4359692 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4354735 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4359421 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4361103 0.98 ALDH1A1 (0.42) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4360012 0.93 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4354818 0.85
SCHEMBL4359510 0.81 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2

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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20060177763-A1 Method for producing compound having acid-labile group KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1661918-A1 METHOD FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP Kyowa Hakko Chemical Co., Ltd. (JP) 2006-05-31 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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP AGL, HACL2, ARL1 ALDH1A1 367/4885EPHX1 330/4885ALOX5 484/4885

“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.