SCHEMBL1281996

SCHEMBL1281996

CC(C)(C)C(O)CCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HPGD P15428 8/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NLRP1 Q9C000 1/20 0.50
TSHR P16473 3/20 0.48
SLC2A1 P11166 1/20 0.47
S1PR4 O95977 3/20 0.46
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 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
SCHEMBL1282702 0.82 L3MBTL1 (0.51) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL18413017 0.79 MAPT (0.55) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL11796862 0.78 MAPT (0.56) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL21850358 0.77 HPGD (0.56) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL1282836 0.77 MMP1 (0.52) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL24293575 0.75 HPGD (0.57) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL10727219 0.75 MAPK1 (0.62) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL15894111 0.75 ALDH1A1 (0.61) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL9214093 0.74 MAPT (0.57) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL1283163 0.74 HSP90AB1 (0.41) MAPTHPGDALDH1A1TDP1MAPK1

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
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 US disclosed
WO-2010146112-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 WO 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 MAPT 1824/4885HPGD 3783/4885RAB9A 3894/4885

“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.