SCHEMBL18156896

SCHEMBL18156896

CCCOC(C)(C)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 3/20 0.36

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
SCHEMBL8386328 0.89 MAPK1 (0.42) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18156894 0.89 MAPT (0.47) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18156893 0.83 MAPT (0.48) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL1224411 0.81 MAPK1 (0.56) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL18156897 0.78 NFE2L2 (0.46) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL22316340 0.77 SMN1; SMN2 (0.37) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL18151593 0.76 MAPT (0.39) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL5266569 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL18156898 0.76 MAOB (0.50) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL9226771 0.72 MAPK1 (0.50) ALDH1A1MAPK1TSHRTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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 (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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB MAPT 4664/4885NPC1 1281/4885RAB9A 1093/4885

“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.