SCHEMBL14535006

SCHEMBL14535006

C[C@H](C=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.66
HTR2B P41595 3/20 0.66
HTR2C P28335 2/20 0.66
SIGMAR1 Q99720 2/20 0.57
ADRA2C P18825 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA1A P35348 2/20 0.57
DRD3 P35462 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
OPRK1 P41145 1/20 0.57
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX1 P07099 4/20 0.49
ACP3 P15309 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL30600480 0.85 TP53 (0.65) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL779665 0.85 TP53 (0.65) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL27887086 0.83 TP53 (0.53) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL2659237 0.81 HTR2A (0.77) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL17771951 0.81 HTR2A (0.66) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL4624620 0.81 HTR2A (0.66) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL9439891 0.81 HTR2A (0.66) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL25215174 0.80 TP53 (0.71) HTR2AHTR2BHTR2CTP53TSHR
SCHEMBL18888417 0.80 HTR2A (0.74) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL16379333 0.80 TP53 (0.71) HTR2AHTR2BHTR2CTP53TSHR

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-20070111947-A1 Fibrin targeted therapeutics MCMURRY THOMAS J 2007-05-17 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-20070111947-A1 Fibrin targeted therapeutics FGB, F13B, F2 HTR2A 4735/4885HTR2B 4517/4885HTR2C 4704/4885

“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.