SCHEMBL4359403

SCHEMBL4359403

CCCCC1C(C)COC1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL4363780 0.94 ALDH1A1 (0.45) ALDH1A1EPHX1NOS3NOS1NOS2
SCHEMBL4353015 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4355626 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4360067 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4367551 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4356838 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4357468 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4363489 0.92 ALDH1A1 (0.48) ALDH1A1EPHX1CYP1A2NOS3NOS1
SCHEMBL4357703 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4367548 0.79

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 330/4885SMN1; SMN2 4661/4885

“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.