Sugi Predict

Sugi Predict / Compounds / SCHEMBL10185696

SCHEMBL10185696

SCHEMBL10185696

COCCCOc1cc(C=O)cc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ CBFB Q13951 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ FFAR1 O14842 3/20 0.33

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
SCHEMBL21300649 0.84 CYP1A2 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL89112 0.83 AHR (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL25370194 0.82 FFAR4 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL30511572 0.82 FFAR4 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL27377044 0.81 CHRM2 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3194836 0.80 PIM1 (0.36) ALDH1A1CYP2D6CHRM2CHRM1CHRM3
SCHEMBL10185702 0.80 KDM4E (0.36) CYP1A2CYP2C19CYP2D6MAPK1KDM4E
SCHEMBL10181841 0.80 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL6807679 0.79 CYP1A1 (0.47) ALDH1A1CYP1A2AHRFFAR4
SCHEMBL29393877 0.79 CYP1A1 (0.47) ALDH1A1CYP1A2AHRFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 — — US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 — — US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 — — US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 — — US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 — — US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 — — US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — 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 (2 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-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885MAPT 1212/4885SMN1; SMN2 2243/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885MAPT 1109/4885SMN1; SMN2 2488/4885

“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.