SCHEMBL25669802

SCHEMBL25669802

CC(C)C(CF)c1ccc2sccc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
TRPV3 Q8NET8 1/20 0.39
DYRK1A Q13627 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
CA2 P00918 6/20 0.35
CA12 O43570 5/20 0.35
CTNNB1 P35222 3/20 0.34
WNT3A P56704 3/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
HTR2C P28335 1/20 0.32
ADRB3 P13945 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL25667584 0.86 CYP2A6 (0.38) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL23335807 0.84 CYP2A6 (0.41) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL25669801 0.84 TRPV3 (0.44) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL25669803 0.84 CYP2A6 (0.41) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL25667790 0.84 TRPV3 (0.38) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL25669798 0.78 CYP2A6 (0.41) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL3799813 0.77 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL25669800 0.76 CYP2A6 (0.42) CYP2A6TRPV3DYRK1APTPRCPTPN6
SCHEMBL25669805 0.75 CYP2A6 (0.39) CYP2A6TRPV3DYRK1APTPRCPTPN6
Butane SCHEMBL827112 0.75 CYP2A6 (0.44) CYP2A6TRPV3DYRK1APTPRCPTPN6

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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CYP2A6 1879/4885TRPV3 473/4885DYRK1A 1082/4885

“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.