SCHEMBL12100099

SCHEMBL12100099

C=C[CH]C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ ATM Q13315 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CHKA P35790 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2575592 0.98 ATM (0.41) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL37699 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL329111 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10660748 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10658257 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL25231611 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2554891 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2558338 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL20664588 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10661213 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3

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-8741943-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2014-06-03 — — US disclosed
US-20120232028-A1 Bicyclic Compound, Production and Use Thereof TOBIRA THERAPEUTICS, INC. (US) 2012-09-13 — — 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-20120232028-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 ALDH1A1 2749/4885ATM 4339/4885HPGD 2386/4885

“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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