SCHEMBL19532809

SCHEMBL19532809

CC(C)(C)c1cccc(OCF)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ DRD1 P21728 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL25527077 0.86 ALDH1A1 (0.42) CA2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL24654864 0.86 ALDH1A1 (0.42) CA2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL13334873 0.85 L3MBTL1 (0.43) CA2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL13253653 0.82 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL25946400 0.80 RXRA (0.55) RXRARXRBRXRGMAPTTDP1
SCHEMBL10249780 0.79 CA2 (0.42) CA2HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL17896576 0.78 PTGDR2 (0.52) CYP2C19HSD17B10ALDH1A1KDM4EGAA
SCHEMBL20347956 0.78 RIPK1 (0.51) CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL29324775 0.76 CA2 (0.39) CA2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17037514 0.76 MPL (0.42) CA2ALDH1A1KDM4ETDP1GABRA1

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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 — — US disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 — — 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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 CA2 4466/4885CYP1A2 40/4885CYP2D6 117/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 CA2 4466/4885CYP1A2 40/4885CYP2D6 117/4885

“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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