SCHEMBL4359978

SCHEMBL4359978

CCCCCC1CC(CC)COC1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.35
ALOX5 P09917 1/20 0.34
SPHK1 Q9NYA1 6/20 0.33
SPHK2 Q9NRA0 5/20 0.33
CYP1A2 P05177 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
SCHEMBL4359510 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4365432 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4364293 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4365511 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4361825 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4367994 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4356629 0.98 ALDH1A1 (0.44) ALDH1A1EPHX1ALOX5SPHK1SPHK2
SCHEMBL4368025 0.95 ALDH1A1 (0.34) ALDH1A1CYP1A2
SCHEMBL4364238 0.87
SCHEMBL4353248 0.82

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.