SCHEMBL21361280

SCHEMBL21361280

CC(C)c1cc(CC(C)c2ccccc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NR3C2 P08235 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
NISCH Q9Y2I1 3/20 0.39
OPRK1 P41145 2/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AOC3 Q16853 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
ATG4B Q9Y4P1 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
SCHEMBL20674857 0.87 ESR1 (0.43) PNMTESR1ESR2HTR2BRAB9A
SCHEMBL18948879 0.86 PNMT (0.45) PNMTAOC3
Ammonia Solution, Strong SCHEMBL5311103 0.83 PNMT (0.56) PNMTNR3C2SIGMAR1ESR1ESR2
SCHEMBL23978973 0.81 ESR1 (0.47) NR3C2ESR1ESR2OPRK1HTR2A
SCHEMBL13548277 0.79 PNMT (0.48) PNMTSIGMAR1ESR1MAOAMAOB
SCHEMBL23978871 0.79 PNMT (0.37) PNMTESR1ESR2LMNA
SCHEMBL6545668 0.77 ESR1 (0.59) SIGMAR1ESR1ESR2TAAR1MAOA
SCHEMBL9069704 0.76 ESR1 (0.61) SIGMAR1ESR1ESR2TAAR1MAOA
SCHEMBL4603704 0.75 SLC6A2 (0.53) SIGMAR1ESR1ESR2TAAR1AOC3
SCHEMBL4603712 0.75 SLC6A2 (0.53) SIGMAR1ESR1ESR2TAAR1AOC3

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-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 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-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PNMT 1003/4885NR3C2 1418/4885SIGMAR1 4717/4885

“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.