SCHEMBL4356698

SCHEMBL4356698

CCCCCCCCCCC1CCCOC1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 4/20 0.34
SPHK1 Q9NYA1 7/20 0.33
SPHK2 Q9NRA0 6/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL4354747 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4356839 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4355620 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4358206 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4356656 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4354752 1.00 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4351705 0.98 EPHX1 (0.46) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4360025 0.93 EPHX1 (0.38) EPHX1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL4357673 0.89 EPHX1 (0.57) EPHX1ALDH1A1ALOX5CYP1A2SPHK1
SCHEMBL4351572 0.89 EPHX1 (0.57) EPHX1ALDH1A1ALOX5CYP1A2SPHK1

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 EPHX1 330/4885ALDH1A1 367/4885ALOX5 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.