SCHEMBL1284286

SCHEMBL1284286

Cc1ccc(C=CC(=O)C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 5/20 0.58
FOS P01100 1/20 0.55
JUN P05412 1/20 0.55
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
POLB P06746 1/20 0.51
CYP1B1 Q16678 2/20 0.50
CYP1A1 P04798 1/20 0.50
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL1284284 1.00 RAB9A (0.60) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL4821062 0.92 KMT2A (0.68) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL3136872 0.92 KMT2A (0.68) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL21235162 0.84 TYR (0.61) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL23866749 0.82 LMNA (0.58) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL5856758 0.82 CYP1B1 (0.57) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL8878144 0.82 HSD11B1 (0.62) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL4731715 0.82 CYP1A2 (0.62) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL6851216 0.82 HSD11B1 (0.62) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL4731717 0.82 CYP1A2 (0.62) RAB9AKMT2ANPC1ALDH1A1MEN1

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
JP-1100155-A None JP disclosed
EP-2443099-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-25 EP disclosed
US-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent BASF SE (DE) 2012-04-12 US disclosed
WO-2010146113-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2010-12-23 WO disclosed
JP-H01100155-A CINNAMOYLALKANE DERIVATIVE COMPOUND NIPPON OIL & FATS CO LTD 1989-04-18 JP 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-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent STS, TST, ERG28 RAB9A 2809/4885KMT2A 2938/4885NPC1 2832/4885

“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.