SCHEMBL4359996

SCHEMBL4359996

CCCCC(CC)CC1CC(C)COC1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4358889 0.84 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL4356596 0.77 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL4360012 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4361103 0.74 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL4356836 0.74
SCHEMBL4359692 0.73 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL4354735 0.73 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL4358138 0.73 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL4364660 0.73 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL4359805 0.73 ALDH1A1 (0.46) ALDH1A1TDP1

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 367/4885TDP1 4870/4885CYP3A4 129/4885

“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.