SCHEMBL22301040

SCHEMBL22301040

CCCc1ccc(OC)c(-c2cc(F)ccc2CCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.51
GABRB2 P47870 4/20 0.51
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CETP P11597 1/20 0.42
HTR7 P34969 4/20 0.41
HMGCR P04035 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
HTR5A P47898 2/20 0.40
HTR1E P28566 1/20 0.40

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
SCHEMBL25851725 0.83 GABRA1 (0.54) GABRA1GABRB2ALOX5KDM4EALDH1A1
SCHEMBL15055469 0.83 GABRA1 (0.58) GABRA1GABRB2ALOX5KDM4EGABRA5
SCHEMBL12844526 0.78 HMGCR (0.53) GABRA1GABRB2ALOX5KDM4EGABRA5
SCHEMBL20578797 0.77 TAAR1 (0.56) GABRA1GABRB2ALOX5KDM4E
SCHEMBL8450825 0.76 HMGCR (0.52) KDM4EALDH1A1HMGCR
SCHEMBL8940603 0.76 ERN1 (0.51) KDM4EHTR7SLC9A1
SCHEMBL31060931 0.75 GABRA1 (0.79) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL6376593 0.74 GABRA1 (0.53) GABRA1GABRB2ALOX5KDM4EALDH1A1
SCHEMBL8940661 0.74 CNR1 (0.73) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL9921235 0.73 KDM4E (0.52) GABRA1GABRB2ALOX5KDM4EALDH1A1

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-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 GABRA1 3626/4885GABRB2 2950/4885ALOX5 3937/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 GABRA1 3626/4885GABRB2 2950/4885ALOX5 3937/4885

“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.