SCHEMBL4363780

SCHEMBL4363780

CCCCCC1C(C)COC1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
EPHX1 P07099 1/20 0.38
SPHK1 Q9NYA1 7/20 0.35
SPHK2 Q9NRA0 6/20 0.35
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
ENPP2 Q13822 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL4363489 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4360067 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4353015 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4355626 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4367551 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4356838 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4357468 0.98 ALDH1A1 (0.48) ALDH1A1EPHX1SPHK1SPHK2NOS1
SCHEMBL4359403 0.94 ALDH1A1 (0.38) ALDH1A1EPHX1NOS1NOS2NOS3
SCHEMBL4357703 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4359015 0.79 ALDH1A1 (0.44) ALDH1A1EPHX1SPHK1SPHK2TDP1

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 330/4885SPHK1 3243/4885

“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.