SCHEMBL4360079

SCHEMBL4360079

CCCCOC(Cl)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
DNM1 Q05193 1/20 0.35
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4359817 0.93 DNM1 (0.43) DNM1ALDH1A1CA1CA2
SCHEMBL4362678 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4356026 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4352553 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4361809 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4359813 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4364288 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL4361838 0.91 DNM1 (0.47) DNM1TSHRALDH1A1
SCHEMBL31296281 0.87 ADRB2 (0.41) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL4359409 0.87 TSHR (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR

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 ADRB2 2531/4885ADRB1 2083/4885ADRB3 2897/4885

“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.