SCHEMBL9945993

SCHEMBL9945993

CCCCOc1ccc(F)c(B(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
LTA4H P09960 2/20 0.41
HTR1A P08908 6/20 0.40
HTR1D P28221 6/20 0.40
HTR1B P28222 6/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NR5A1 Q13285 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP19A1 P11511 2/20 0.39

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
SCHEMBL12537785 0.86 MCL1 (0.46) MCL1LTA4HCA12CA1CA2
SCHEMBL29958075 0.79 LTA4H (0.43) MCL1LTA4HHTR1AHTR1BCA12
SCHEMBL1676909 0.79 LTA4H (0.43) MCL1LTA4HHTR1AHTR1BCA12
SCHEMBL9946081 0.77 LTA4H (0.42) LTA4HCA12CA1CA2CA3
SCHEMBL14474330 0.77 MCL1 (0.46) MCL1LTA4HCA12CA1CA2
SCHEMBL7784021 0.77 NR5A1 (0.52) MCL1LTA4HHTR1AHTR1DHTR1B
SCHEMBL8405356 0.76 LTA4H (0.43) MCL1LTA4HCA12CA1CA2
SCHEMBL29955018 0.76 LTA4H (0.43) MCL1LTA4HCA12CA1CA2
SCHEMBL17175975 0.75 THRA (0.45) MCL1LTA4HCA12CA1CA2
SCHEMBL17802398 0.75 TSHR (0.49) MCL1LTA4HHTR1AHTR1DHTR1B

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MCL1 2648/4885LTA4H 1649/4885HTR1A 13/4885

“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.