SCHEMBL17191941

SCHEMBL17191941

Cc1cc2[nH]cc(C(C)C)c(=O)c2cc1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.37
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DAO P14920 2/20 0.33
▸ CFTR P13569 2/20 0.33
▸ DDO Q99489 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 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
SCHEMBL19426104 0.89 SRC (0.38) LMNAKDM4EHSD17B10DAOCFTR
SCHEMBL18852449 0.87 LMNA (0.38) ACHELMNAKDM4EHSD17B10TRPA1
SCHEMBL15680180 0.74 SRC (0.42) KDM4EHSD17B10DAODDOTHRB
SCHEMBL15730605 0.74 ATM (0.43) ACHEKDM4EHSD17B10DAODDO
SCHEMBL27768537 0.74 THRA (0.32) THRATHRB
SCHEMBL15255990 0.73 LMNA (0.46) LMNAHSD17B10DAODDOTRPA1
SCHEMBL18389509 0.71 HTR1D (0.51) KDM4EHSD17B10CFTRFFAR1GPR84
SCHEMBL25786727 0.71 AURKA (0.46) KDM4ECFTRFFAR1GPR84
SCHEMBL17191944 0.70 GABRA1 (0.36) LMNADAOADRA1ATHRATHRB
SCHEMBL17191889 0.69 CFTR (0.43) LMNAKDM4EHSD17B10CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — 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 (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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ACHE 271/4885LMNA 2931/4885KDM4E 1724/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ACHE 2567/4885LMNA 3555/4885KDM4E 2208/4885

“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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