SCHEMBL21725535

SCHEMBL21725535

CCOc1ccc(C(C)C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
KMT2A Q03164 5/20 0.42
FFAR1 O14842 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL25453142 0.87 KDM4E (0.47) KMT2AMEN1NPC1KDM4EL3MBTL1
SCHEMBL23022221 0.85 LMNA (0.56) NQO1KMT2AFFAR1AKR1C3AKR1C2
SCHEMBL19366194 0.85 NQO1 (0.48) NQO1KMT2AFFAR1AKR1C3AKR1C2
SCHEMBL25453143 0.84 THRB (0.47) TSHRKDM4EL3MBTL1TP53CARM1
SCHEMBL28298305 0.84 FFAR1 (0.37) KMT2AFFAR1MEN1KDM4EL3MBTL1
SCHEMBL25453144 0.83 THRB (0.49) TSHRKDM4ETP53CARM1
SCHEMBL25453145 0.83 THRB (0.49) TSHRKDM4ETP53CARM1
SCHEMBL16997127 0.82 TDP1 (0.50) KMT2ATDP1MEN1ALDH1A1KDM4E
SCHEMBL25963153 0.82 KDM4E (0.41) KMT2ATDP1MEN1ALDH1A1KDM4E
SCHEMBL11357974 0.81 NQO1 (0.45) NQO1KMT2AFFAR1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-09-08 US disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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 (7 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NQO1 2962/4885KMT2A 1341/4885FFAR1 329/4885

“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.