SCHEMBL21725501

SCHEMBL21725501

CCOc1cc(Cl)ccc1C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL21725438 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL12356906 0.85 TSHR (0.46) TSHRHPGDCYP1A2CYP2D6ALDH1A1
SCHEMBL24727285 0.84 CSNK2A1 (0.39) TSHRCYP2D6ALDH1A1GAAMEN1
SCHEMBL22931242 0.80 CNR2 (0.36) ALDH1A1HTR2ALMNATP53HTT
SCHEMBL21676008 0.79 TSHR (0.42) TSHRHPGDCYP1A2CYP2D6ALDH1A1
Cyanide SCHEMBL28231476 0.79 TSHR (0.42) TSHRHPGDCYP1A2CYP2D6ALDH1A1
SCHEMBL16770543 0.77 TP53 (0.59) TSHRMEN1KMT2ALMNATP53
SCHEMBL2632875 0.77 TP53 (0.59) TSHRMEN1KMT2ALMNATP53
SCHEMBL17069212 0.77 TP53 (0.59) TSHRMEN1KMT2ALMNATP53
SCHEMBL18713982 0.77 HTT (0.42) TSHRHPGDCYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TSHR 102/4885HPGD 1592/4885CYP1A2 1383/4885

“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.

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