SCHEMBL22016545

SCHEMBL22016545

CC(C)c1ccc2c(c1)OC(CC(C)c1ccc3c(c1)CCC3)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.35
KARS1 Q15046 1/20 0.34
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
OGA O60502 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL24312427 0.86 MEN1 (0.32) MMP3KMT2AMEN1
SCHEMBL25894256 0.80 MMP3 (0.34) MMP3OGA
SCHEMBL21284498 0.79 MMP3 (0.35) MMP3HTT
SCHEMBL19977257 0.77 HTR2A (0.35) KARS1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL18386322 0.74 KMT2A (0.43) KARS1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL21317484 0.74 CNR2 (0.33) MMP3MAPTCYP1A2OGA
SCHEMBL9859659 0.71 KMT2A (0.46) KARS1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL20670279 0.71 MEN1 (0.30) KMT2AMEN1CYP3A4CYP2D6TSHR
SCHEMBL26700318 0.69 OGA (0.49) OGAALDH1A1GAA
SCHEMBL21575914 0.68 OGA (0.35) OGAALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MMP3 2187/4885KARS1 3861/4885KMT2A 2755/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MMP3 2187/4885KARS1 3861/4885KMT2A 2755/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 MMP3 2187/4885KARS1 3861/4885KMT2A 2755/4885

“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.