Sugi Predict

Sugi Predict / Compounds / SCHEMBL13613953

SCHEMBL13613953

SCHEMBL13613953

Cc1ccc(CN(C)C2CC2)cc1-c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL14569765 0.84 HDAC3 (0.49) HRH4HRH3HTR2AHTR2CHTR2B
SCHEMBL13613846 0.82 BCHE (0.50) RARBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4525407 0.81 FFAR1 (0.54) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4525397 0.81 FFAR1 (0.54) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5651543 0.78 ALDH1A1 (0.46) ALDH1A1RARBKDM4EHPGDSMN1; SMN2
SCHEMBL5651537 0.78 ALDH1A1 (0.46) ALDH1A1RARBKDM4EHPGDSMN1; SMN2
SCHEMBL4523863 0.75 FFAR1 (0.53) HTR2AHTR2CHTR2BSIGMAR1SLC6A2
SCHEMBL4523880 0.75 FFAR1 (0.53) HTR2AHTR2CHTR2BSIGMAR1SLC6A2
SCHEMBL14558300 0.71 SLC6A2 (0.48) ALDH1A1RARBKDM4EHPGDSMN1; SMN2
SCHEMBL14524826 0.70 NR1H4 (0.49) NR1H4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 — — US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 — — US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 — — US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 — — 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-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 ALDH1A1 96/4885HRH4 3593/4885HRH3 3876/4885

“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.