SCHEMBL3717843

SCHEMBL3717843

CC(C)(C)C(C)(C)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
TSHR P16473 4/20 0.65
TDP1 Q9NUW8 2/20 0.65
ALOX15 P16050 6/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
CA2 P00918 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
CA3 P07451 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL27846720 0.82 ALDH1A1 (0.56) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL29832783 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL7555217 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL14830876 0.80 ALDH1A1 (0.65) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL51803 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL9327128 0.79 ALDH1A1 (0.71) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL22729938 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL29613273 0.79 ALDH1A1 (0.71) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL584830 0.79 ALDH1A1 (0.71) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL410880 0.79 ALDH1A1 (0.71) ALDH1A1TSHRTDP1ALOX15LMNA

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-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
EP-2398849-A1 WHITE COATED POLYESTER FILM, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF AS A BACKSIDE COVER IN SOLAR MODULES Mitsubishi Plastics, Inc. (JP) 2011-12-28 EP disclosed
WO-2010094443-A1 WHITE COATED POLYESTER FILM, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF AS A BACKSIDE COVER IN SOLAR MODULES MITSUBISHI PLASTICS, INC. (JP) 2010-08-26 WO 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885TSHR 391/4885TDP1 3910/4885

“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.