SCHEMBL13569352

SCHEMBL13569352

CCc1ccc(OCCF)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.61
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRH3 Q9Y5N1 1/20 0.47
KCNH2 Q12809 1/20 0.46
CISD1 Q9NZ45 1/20 0.45

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
SCHEMBL13925522 1.00 APP (0.61) APPALDH1A1LMNAMAPTHPGD
SCHEMBL13925526 0.89 LMNA (0.58) APPALDH1A1LMNAMAPTHPGD
SCHEMBL22537507 0.88 APP (0.66) APPALDH1A1LMNAMAPTHPGD
SCHEMBL5929490 0.86 MAPT (0.62) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL17445912 0.84 ALDH1A1 (0.66) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL2628197 0.83 APP (0.58) APPALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL19113684 0.83 APP (0.58) APPALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL10457449 0.83 APP (0.59) APPALDH1A1KCNH2
SCHEMBL16063140 0.83 LTA4H (0.60) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL301362 0.83 NR1I2 (0.60) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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
WO-2017049080-A1 ANTIFUNGAL COMPOUND PROCESS VIAMET PHARMACEUTICALS, INC. (US) 2017-03-23 WO disclosed
WO-2015143142-A1 ANTIFUNGAL COMPOUND PROCESS VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
WO-2012150220-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 WO disclosed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 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 (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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 APP 613/4885ALDH1A1 1840/4885LMNA 741/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 APP 613/4885ALDH1A1 1840/4885LMNA 741/4885

“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.