SCHEMBL21361763

SCHEMBL21361763

C=C/C=C\C=C(/C=C)c1ccc(CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 7/20 0.38
PLK1 P53350 1/20 0.37
THRA P10827 6/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL24264549 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL19719143 0.77 CES2 (0.35) KMT2AMAPTCYP2C19
SCHEMBL5448720 0.76 AKT1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL18427854 0.76 AKT1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL18560661 0.71 ALDH5A1 (0.31) MEN1KMT2ACYP2C9MAPTCYP2C19
SCHEMBL17149441 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL14547106 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL18789931 0.71
SCHEMBL9722329 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL24217763 0.69 THRB (0.47) ALDH1A1SMN1; SMN2THRBKMT2ARXRA

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-20190284635-A1 METHOD FOR THE PROGNOSIS AND/OR TREATMENT OF ACUTE PROMYELOCYTIC LEUKEMIA EPI-C S.R.L. (IT) 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-20190284635-A1 METHOD FOR THE PROGNOSIS AND/OR TREATMENT OF ACUTE PROMYELOCYTIC LEUKEMIA EZH2, KAT2A, EHMT2 ALDH1A1 738/4885SMN1; SMN2 3186/4885THRB 2889/4885

“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.