SCHEMBL18275083

SCHEMBL18275083

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.47
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
NR4A2 P43354 1/20 0.41
RXRG P48443 2/20 0.40
AR P10275 2/20 0.40
NR1H3 Q13133 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18275126 0.83 MEN1 (0.53) SRD5A2RARBRARGMEN1CYP1A2
SCHEMBL18275124 0.80 NR1I2 (0.49) SRD5A2RARBRARGMEN1CYP1A2
SCHEMBL18275080 0.79 SRD5A2 (0.46) SRD5A2RARBRARGMEN1CYP1A2
SCHEMBL18275128 0.78 SRD5A2 (0.45) SRD5A2RARBMEN1CYP1A2KMT2A
SCHEMBL18151473 0.77 AR (0.43) EPHX2ARNR1H3ALDH1A1
SCHEMBL448814 0.77 SHBG (0.59) SRD5A2RARBRARGMEN1CYP1A2
SCHEMBL2879876 0.77 SRD5A2 (0.55) SRD5A2RARBRARGEPHX2NR1H4
SCHEMBL1021804 0.77 SRD5A2 (0.55) SRD5A2RARBRARGEPHX2NR1H4
SCHEMBL18275085 0.76 SRD5A2 (0.44) SRD5A2RARBRARGMEN1CYP1A2
SCHEMBL18275129 0.75 PTPN1 (0.48) SRD5A2CYP1A2RXRARXRBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108430974-B ROR gamma modulators 领先制药控股公司 2021-09-17 CN disclosed
US-10556866-B2 ROR gamma (RORγ) modulators LEAD PHARMA HOLDING B.V. (NL) 2020-02-11 US disclosed
US-10556866-B2 ROR gamma (RORγ) modulators LEAD PHARMA HOLDING B.V. (NL) 2020-02-11 US disclosed
EP-3303293-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-02-05 EP disclosed
EP-3303293-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-02-05 EP disclosed
US-20180162815-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-06-14 US disclosed
US-20180162815-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-06-14 US disclosed
US-20180162815-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-06-14 US disclosed
WO-2016193461-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO disclosed
EP-3101009-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 EP disclosed
EP-3101009-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 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 (2 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-20180162815-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB SRD5A2 1091/4885RARB 9/4885RARG 14/4885
US-10556866-B2 ROR gamma (RORγ) modulators RORC, RORA, RORB SRD5A2 708/4885RARB 27/4885RARG 30/4885

“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.