SCHEMBL24088392

SCHEMBL24088392

CCOC(=O)CC1CCC(Oc2cccc(Cl)c2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21855519 0.90 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1FFAR4MRGPRX4
SCHEMBL21855668 0.80 SLC6A4 (0.38) ALDH1A1ENPP2MRGPRX4
SCHEMBL31731193 0.78 RORC (0.46) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL21855562 0.76 SLC6A4 (0.37) FFAR4MRGPRX4
SCHEMBL17731135 0.76 ACSL1 (0.44) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL30657294 0.75 AR (0.41) L3MBTL1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL26637608 0.75 AR (0.41) L3MBTL1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL26636223 0.75 AR (0.41) L3MBTL1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL26639659 0.75 AR (0.41) L3MBTL1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28566669 0.74 L3MBTL1 (0.45) L3MBTL1HTTALDH1A1MEN1KMT2A

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-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-09 — — 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-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, AADAC L3MBTL1 4550/4885HTT 1499/4885ALDH1A1 155/4885

“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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