SCHEMBL16078417

SCHEMBL16078417

C=C(C)c1ccc(OC)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
RAD52 P43351 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 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
SCHEMBL27341362 0.84 ALDH1A1 (0.43) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL20442796 0.82 HTT (0.50) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL31003335 0.80 ALDH1A1 (0.67) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL28419647 0.80 HPGD (0.47) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL4063661 0.80 MAPT (0.65) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL1539315 0.80 ALDH1A1 (0.67) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL9508152 0.79 GSTP1 (0.39) HTTMAPT
SCHEMBL23268318 0.78 JAK2 (0.48) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL31338897 0.78 ALDH1A1 (0.46) HTTALDH1A1HPGDCYP3A4MAPK1
SCHEMBL30820833 0.78 CPS1 (0.54) ALDH1A1HPGDCYP3A4MAPK1MAPT

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-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 US disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
US-9029560-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2015-05-12 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 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 (3 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HTT 4155/4885ALDH1A1 238/4885HPGD 817/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HTT 4155/4885ALDH1A1 238/4885HPGD 817/4885
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HTT 4155/4885ALDH1A1 238/4885HPGD 817/4885

“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.