SCHEMBL3937518

SCHEMBL3937518

[CH2]Cc1cc(C)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.42
HTR7 P34969 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.40
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DPP4 P27487 1/20 0.39
MAOB P27338 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 3/20 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
SCHEMBL9485214 0.82 PDCD1 (0.53) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL18569389 0.82 PTGDR2 (0.46) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL3786898 0.81 DPP4 (0.59) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL31738460 0.80 PSMB5 (0.39) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL13038383 0.79 TAAR1 (0.46) PSMB5PTGDR2HDAC7ESR2ALDH1A1
SCHEMBL28312672 0.79 CA12 (0.42) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL10092813 0.78 HDAC7 (0.41) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL13038055 0.77 ALDH1A1 (0.46) PSMB5PTGDR2HDAC7KDM4EALDH1A1
SCHEMBL9486287 0.77 DPP4 (0.40) PSMB5HTR7PTGDR2HDAC7ESR2
SCHEMBL9890663 0.77 PTGS1 (0.59) PTGDR2HDAC7LMNAMAPTPTGS1

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
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 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-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 PSMB5 3647/4885HTR7 3201/4885PTGDR2 571/4885

“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.