SCHEMBL9748570

SCHEMBL9748570

CCC(C(=O)C(C)(C)C)n1cncn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 3/20 0.40
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.37
MEN1 O00255 2/20 0.36
CYP26A1 O43174 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
CYP24A1 Q07973 1/20 0.34
CYP19A1 P11511 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 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
SCHEMBL12415427 0.87 MAPT (0.60) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL12418531 0.84 MAPT (0.58) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL11350208 0.84 MAPT (0.60) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL10362536 0.81 MAPT (0.58) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL11049095 0.81 MAPT (0.58) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL5440264 0.81 MAPT (0.49) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL10900677 0.79 MAPT (0.44) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL2754295 0.79 MAPT (0.44) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL1923770 0.79 MAPT (0.55) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL10771521 0.79 MAPT (0.55) MAPTCYP3A4KMT2AHSP90AA1LMNA

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-20110160056-A1 Triazole compounds, the use thereof and preparations containing these compounds BASF SE (DE) 2011-06-30 US disclosed
EP-0207590-B1 SUBSTITUTED AZOLYL ETHANOL DERIVATIVES AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-15 EP disclosed
US-4871389-A PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-03 US disclosed
EP-0207590-A2 Substituted azolyl ethanol derivatives as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-07 EP 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-20110160056-A1 Triazole compounds, the use thereof and preparations containing these compounds CYP11B2, CYP3A43, CYP3A5 MAPT 1402/4885CYP3A4 10/4885KMT2A 3231/4885

“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.