SCHEMBL2849070

SCHEMBL2849070

O=C1CCCC=C1C(O)c1cncc(CCCl)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2853092 0.93 ALDH1A1 (0.42) THRBALDH1A1
SCHEMBL14400222 0.67 THRB (0.65) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL5792543 0.67 THRB (0.64) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL2849068 0.65 THRB (0.40) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL2849067 0.62 CASP1 (0.30)
SCHEMBL3550335 0.61 THRB (0.44) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL2853137 0.61 EGFR (0.31)
SCHEMBL12056719 0.61 HIF1A (0.56) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL2851463 0.59 THRB (0.42) THRBTP53HIF1ACYP3A4ALOX15
SCHEMBL12847980 0.59 CYP2C19 (0.70) THRBTP53HIF1ACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US claimed
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US disclosed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 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-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof HBS1L, SSBP1, QARS1 THRB 4830/4885TP53 3934/4885HIF1A 2429/4885

“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.