SCHEMBL4131499

SCHEMBL4131499

CC(C)C[C@@H](O)C1=CCCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
HIF1A Q16665 1/20 0.53
CYP3A4 P08684 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 3/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.36
GSTP1 P09211 2/20 0.35
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5177864 0.89 TP53 (0.45) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL12056719 0.80 HIF1A (0.56) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL4135092 0.78 TP53 (0.69) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL4125305 0.77 TP53 (0.72) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL13043858 0.77 HIF1A (0.53) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL4120017 0.77 HIF1A (0.53) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL4111330 0.76 TP53 (0.70) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL4126962 0.76 TP53 (0.70) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL6548167 0.75 HIF1A (0.50) TP53HIF1ACYP3A4ALOX15CYP2C19
SCHEMBL1238019 0.73 TP53 (0.50) TP53HIF1ACYP3A4ALOX15CYP2C19

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-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 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-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 TP53 3330/4885HIF1A 4380/4885CYP3A4 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.