SCHEMBL92954

SCHEMBL92954

c1ccc(-c2cccc(COC3CCCCO3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
AGXT P21549 1/20 0.46
PRMT3 O60678 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
TACR1 P25103 1/20 0.40
NR4A2 P43354 1/20 0.40
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 2/20 0.38
LCT P09848 2/20 0.38
SI P14410 2/20 0.38
UGCG Q16739 2/20 0.38

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
SCHEMBL4184332 0.87 KDM4C (0.47) KDM4CEP300CREBBPTACR1MEN1
SCHEMBL11258174 0.85 KDM4C (0.46) KDM4CEP300CREBBPTACR1MEN1
SCHEMBL80738 0.84 KDM4C (0.48) KDM4COXTRAVPR1AMGLLMEN1
SCHEMBL7445879 0.82 TACR1 (0.47) KDM4CEP300CREBBPTACR1MEN1
SCHEMBL5115209 0.82 FFAR1 (0.51)
SCHEMBL23662562 0.82 DHFR (0.43) AGXTKDM4CEP300CREBBPTACR1
SCHEMBL1732627 0.82 KDM4C (0.41) KDM4CEP300CREBBPTACR1MEN1
SCHEMBL92943 0.82 KDM4C (0.41) CARM1PRMT6KDM4CEP300CREBBP
SCHEMBL10214541 0.82 L3MBTL1 (0.47) AGXTCARM1PRMT6PRMT8KDM4C
SCHEMBL2767753 0.82 CYP4F2 (0.46) KDM4CEP300CREBBPTACR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C NAAA 809/4885AGXT 456/4885PRMT3 920/4885

“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.