SCHEMBL18151840

SCHEMBL18151840

Nc1ccc(C(O)(CC2CCCCC2)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HDAC6 Q9UBN7 2/20 0.35
MLYCD O95822 1/20 0.35
HSD11B1 P28845 5/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
KIF11 P52732 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
LDLR P01130 1/20 0.33
EPHX1 P07099 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP19A1 P11511 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18151606 0.98 NFE2L2 (0.41) NFE2L2NR1H2NR1H3HDAC6MLYCD
SCHEMBL16799506 0.71 AR (0.47) NR1H2NR1H3MLYCDRORCKIF11
SCHEMBL16799948 0.70 AR (0.51) NFE2L2NR1H2NR1H3RORCKIF11
SCHEMBL9837839 0.70 NFE2L2 (0.47) NFE2L2NR1H2NR1H3HDAC6MLYCD
SCHEMBL20423878 0.70 NFE2L2 (0.55) NFE2L2RORCKIF11LDLR
SCHEMBL9837560 0.69 NFE2L2 (0.40) NFE2L2HDAC6MLYCDHSD11B1LDLR
SCHEMBL18151473 0.68 AR (0.43) NR1H2NR1H3MLYCDHSD11B1KIF11
SCHEMBL16799610 0.68 NR1H2 (0.46) NR1H2NR1H3MLYCDKIF11RAB9A
SCHEMBL9838902 0.68 NFE2L2 (0.45) NFE2L2HSD11B1KIF11LDLRCYP19A1
SCHEMBL16799842 0.67 AR (0.43) NR1H2NR1H3MLYCDHSD11B1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922337-B ROR gamma modulators 领先制药控股公司 2021-07-02 CN disclosed
EP-3319942-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-03-11 EP disclosed
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
US-20190040012-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2019-02-07 US disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-05-24 US disclosed
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-05-24 US disclosed
EP-3319942-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Holding B.V. (NL) 2018-05-16 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
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO disclosed
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO disclosed
EP-3101005-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 EP disclosed
EP-3101005-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 EP 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
CN-105980353-A ROR gamma modulators 领先制药CEL模型知识产权公司 2016-09-28 CN 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 (3 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-20190040012-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB NFE2L2 3042/4885NR1H2 24/4885NR1H3 22/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB NFE2L2 2560/4885NR1H2 18/4885NR1H3 14/4885
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB NFE2L2 3242/4885NR1H2 28/4885NR1H3 27/4885

“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.