SCHEMBL370520

SCHEMBL370520

COc1ccc(C(=O)CC(c2ccc(Br)cc2)C2CCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.44
KCNH2 Q12809 1/20 0.41
NNMT P40261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LSS P48449 1/20 0.39
ACKR3 P25106 1/20 0.37
PTGS2 P35354 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL1390389 0.99 GPR183 (0.43) GPR183KCNH2NNMTALDH1A1LSS
SCHEMBL369181 0.98 GPR183 (0.44) GPR183KCNH2NNMTALDH1A1LSS
SCHEMBL369278 0.84 GPR183 (0.38) GPR183KCNH2NNMTACKR3GRIN2B
SCHEMBL370019 0.79 FFAR2 (0.42) NNMTALDH1A1ACKR3GRIN2B
SCHEMBL362792 0.76 NNMT (0.44) GPR183KCNH2NNMTALDH1A1
SCHEMBL365735 0.76 NNMT (0.44) GPR183KCNH2NNMTGRIN2B
SCHEMBL362565 0.76 GPR183 (0.44) GPR183KCNH2NNMTLSS
SCHEMBL363535 0.75 GPR183 (0.42) GPR183KCNH2NNMTLSSGRIN2B
SCHEMBL369728 0.74 GPR183 (0.44) GPR183KCNH2ALDH1A1PTGS2
SCHEMBL371102 0.73 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPR183 80/4885KCNH2 1276/4885NNMT 3132/4885

“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.