SCHEMBL7968046

SCHEMBL7968046

COc1c(C)cc(Br)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
HSD17B10 Q99714 2/20 0.34
PTGS1 P23219 1/20 0.34
CA4 P22748 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL1304740 0.87 PTGS2 (0.50) PTGS2ALDH1A1TSHRTDP1KDM4E
SCHEMBL8986261 0.84 KDM4E (0.38) ALDH1A1KDM4EPKMCA2HSD17B10
SCHEMBL8986287 0.82 KDM4E (0.40) ALDH1A1TSHRKDM4EPKMCA2
SCHEMBL1530698 0.82 HSD17B10 (0.47) PTGS2ALDH1A1TSHRTDP1CA2
Methoxymethane SCHEMBL8986260 0.81 KDM4E (0.39) ALDH1A1TSHRKDM4EPKMCA2
SCHEMBL17291956 0.80 PTGDR2 (0.35) PTGS2ALDH1A1KDM4EADRA2AADRA2C
SCHEMBL363341 0.80 KDM4E (0.45) ALDH1A1KDM4EPKMCA2HSD17B10
SCHEMBL14112766 0.80 ALOX15 (0.44) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL13688744 0.79 ALDH1A1 (0.42) PTGS2ALDH1A1TSHRTDP1ADRA2A
SCHEMBL14594236 0.79 ALDH1A1 (0.46) PTGS2ALDH1A1TSHRTDP1ADRA2A

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
EP-3260461-B1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL CO (JP) 2019-10-16 EP disclosed
US-9902747-B2 Phosphite compound, method for producing the same and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9902747-B2 Phosphite compound, method for producing the same and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-20180002359-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-04 US disclosed
EP-3260461-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF Sumitomo Chemical Company, Ltd. (JP) 2017-12-27 EP disclosed
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 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-20180002359-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF PHOSPHO1, AGPS, PLCG1 PTGS2 2880/4885ALDH1A1 3839/4885TSHR 3691/4885

“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.