SCHEMBL4359581

SCHEMBL4359581

OCc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.69
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.55
PTGS2 P35354 1/20 0.54
HDAC6 Q9UBN7 4/20 0.52
HDAC10 Q969S8 3/20 0.52
CYP19A1 P11511 4/20 0.51
CHRNB2 P17787 3/20 0.50
CHRNA7 P36544 3/20 0.50
CHRNA4 P43681 3/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49

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
SCHEMBL16027076 0.87 HTR6 (0.54) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL4359678 0.86 SLC5A1 (0.56) HTR6POLBHDAC6HDAC10CYP19A1
SCHEMBL4354844 0.85 ICMT (0.54) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL2594641 0.84 ICMT (0.65) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL7113697 0.83 POLB (0.74) HTR6ALDH1A1SMN1; SMN2POLBHDAC6
SCHEMBL16027030 0.82 HTR6 (0.66) HTR6ALDH1A1MAPTPOLBHDAC6
SCHEMBL3855666 0.81 HTR6 (0.57) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL3855663 0.81 HTR6 (0.57) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL7157424 0.81 HTR6 (0.68) HTR6MAPTPOLBPTGS2HDAC6
SCHEMBL17371936 0.81 CYP19A1 (0.60) HTR6POLBCYP19A1CHRNB2CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 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-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HTR6 3758/4885ALDH1A1 790/4885CYP1A2 4413/4885

“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.