SCHEMBL18151473

SCHEMBL18151473

CC(C)(C)CC(O)(c1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
KIF11 P52732 1/20 0.39
SHBG P04278 1/20 0.37
NR3C2 P08235 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 2/20 0.34
MAOB P27338 2/20 0.34
EPHX2 P34913 1/20 0.34
NR1I2 O75469 1/20 0.34
PTGS1 P23219 1/20 0.33
MLYCD O95822 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL16799506 0.81 AR (0.47) ARKIF11NPC1MAPTRAB9A
SCHEMBL16799610 0.78 NR1H2 (0.46) ARKIF11NPC1MAPTRAB9A
SCHEMBL18275083 0.77 SRD5A2 (0.47) ARALDH1A1NR1H3EPHX2
SCHEMBL16799842 0.76 AR (0.43) ARKIF11MAPK1HSD11B1NR1H2
SCHEMBL16799888 0.75 NR1H2 (0.41) KIF11NPC1MAPTRAB9AALDH1A1
SCHEMBL19181908 0.74 HSD11B1 (0.54) KIF11NPC1MAPTRAB9AALDH1A1
SCHEMBL427501 0.74 HSD11B1 (0.54) KIF11NPC1MAPTRAB9AALDH1A1
SCHEMBL20956389 0.74 HSD11B1 (0.54) KIF11NPC1MAPTRAB9AALDH1A1
SCHEMBL18275188 0.74 TDP1 (0.39) ARKIF11MAPTALDH1A1MAPK1
SCHEMBL19179564 0.73 KIF11 (0.42) KIF11NPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
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
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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 AR 397/4885KIF11 570/4885SHBG 2334/4885

“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.