SCHEMBL25823349

SCHEMBL25823349

CC(C)CCc1ccc(Cl)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.43
SIGMAR1 Q99720 8/20 0.43
KCNH2 Q12809 7/20 0.38
PNMT P11086 2/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 1/20 0.36
CCR5 P51681 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL12436727 0.82 SIGMAR1 (0.58) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL25823578 0.79 TMEM97 (0.44) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL20570318 0.76 PNMT (0.42) TMEM97SIGMAR1PNMTTAAR1MEN1
SCHEMBL8294365 0.75 MAPT (0.49) MEN1KMT2A
SCHEMBL20974679 0.75 PNMT (0.43) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL12767968 0.75 THRA (0.33) THRATHRB
SCHEMBL15921609 0.75 KDM4E (0.47) SIGMAR1PNMTTAAR1ABL1
SCHEMBL3238220 0.75 TAAR1 (0.67) SIGMAR1PNMTTAAR1
SCHEMBL18996666 0.74 TMEM97 (0.43) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL12188730 0.74 ABL1 (0.43) SIGMAR1PNMTTAAR1MEN1KMT2A

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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 TMEM97 3475/4885SIGMAR1 1833/4885KCNH2 4410/4885

“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.