SCHEMBL14558136

SCHEMBL14558136

CCCC(Cc1cccc(CN(C)C(C)C)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.45
▸ CPA3 P15088 1/20 0.42
▸ PTGES O14684 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CHRM1 P11229 1/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14558137 0.89 CYP1A2 (0.47) FOLH1PPARGCYP1A2
SCHEMBL14558129 0.82 CYP1A2 (0.40) FOLH1CPA3CYP1A2HTR2AADRA1A
SCHEMBL14558096 0.82 HPGD (0.48) HTR2AADRA1ASLC6A3
SCHEMBL10010704 0.80 FOLH1 (0.48) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL10009088 0.77 FOLH1 (0.51) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL4550704 0.76 CYP1A2 (0.70) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL6657008 0.76 CYP1A2 (0.70) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL5870627 0.76 CYP1A2 (0.51) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL14611119 0.76 CYP1A2 (0.51) FOLH1PPARGCYP1A2
SCHEMBL6841478 0.76 CYP1A2 (0.51) FOLH1CPA3PTGESALOX5PPARG

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 FOLH1 4018/4885CPA3 388/4885PTGES 991/4885

“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.

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