SCHEMBL4359817

SCHEMBL4359817

CCCCCOC(Cl)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL4356026 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4361838 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4352553 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4359813 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4364288 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4362678 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4361809 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL4360079 0.93 ADRB2 (0.36) DNM1ALDH1A1CA1CA2
SCHEMBL22268707 0.83 DNM1 (0.38) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL4356031 0.82

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 DNM1 4461/4885ALDH1A1 367/4885CNR1 1475/4885

“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.