SCHEMBL4119826

SCHEMBL4119826

O=C1CCCC=C1[C@H](O)C1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.97
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.51
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
THRB P10828 1/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.42
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4119830 1.00 HIF1A (0.97) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4112077 0.98 HIF1A (1.00) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4112082 0.98 HIF1A (1.00) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4883667 0.76 HIF1A (0.63) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL12056719 0.73 HIF1A (0.56) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL13043858 0.70 HIF1A (0.53) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4120017 0.70 HIF1A (0.53) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4131499 0.70 TP53 (0.58) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL4135092 0.69 TP53 (0.69) HIF1AMAPTTP53CYP3A4ALOX15
SCHEMBL6548167 0.69 HIF1A (0.50) HIF1AMAPTTP53CYP3A4ALOX15

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 HIF1A 4380/4885MAPT 2645/4885TP53 3330/4885

“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.