SCHEMBL2765532

SCHEMBL2765532

[CH2]C(C)COCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SPHK1 Q9NYA1 1/20 0.48
HTT P42858 2/20 0.48
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
LPAR1 Q92633 7/20 0.42
LPAR3 Q9UBY5 7/20 0.42
LPAR5 Q9H1C0 4/20 0.42
LPAR2 Q9HBW0 4/20 0.42
LPAR6 P43657 3/20 0.42
LPAR4 Q99677 3/20 0.42

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
SCHEMBL2765932 0.98 USP2 (0.53) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL2766540 0.93
SCHEMBL29255867 0.82 LPAR3 (0.49) LPAR1LPAR3LPAR2
SCHEMBL2765472 0.82
SCHEMBL96285 0.80 USP2 (0.54) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL415657 0.79 USP2 (0.59) USP2SPHK1HTTLPAR1LPAR3
SCHEMBL11407358 0.79 USP2 (0.48) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL95514 0.78 USP2 (0.52) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL4483278 0.78 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL4489928 0.78 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102271732-A Nanochannel devices and related methods 2011-12-07 CN disclosed
CN-102105452-A Substituted carbinol compound having cyclic linker KOWA CO 2011-06-22 CN disclosed
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
CN-100491355-C Cyclic diamine compound having five-membered cyclic group KOWA CO (JP) 2009-05-27 CN disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN disclosed
CN-1522250-A Cyclic diamine compound having five-membered cyclic group ������������ʽ���� 2004-08-18 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US 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 (2 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 USP2 3295/4885SPHK1 1439/4885HTT 3478/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 USP2 3295/4885SPHK1 1439/4885HTT 3478/4885

“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.