SCHEMBL16694657

SCHEMBL16694657

CCc1ccccc1P(C1CCCC1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSB P07858 1/20 0.34
LMNA P02545 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX5 P09917 1/20 0.32
HDAC4 P56524 1/20 0.32
CYP2D6 P10635 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL16695057 0.93 KMT2A (0.35) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL27770082 0.82 KMT2A (0.40) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL28859669 0.80 KMT2A (0.31) KMT2A
SCHEMBL27923799 0.80 OPRM1 (0.37) CYP2D6
SCHEMBL1314189 0.80 ROCK2 (0.33) HSD17B10ALDH1A1GAA
SCHEMBL3680128 0.78 KMT2A (0.39) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL3674763 0.78 KMT2A (0.39) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL3684937 0.78 KMT2A (0.39) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL3680130 0.78 KMT2A (0.39) KMT2ATSHRHSD17B10CTSBLMNA
SCHEMBL1315359 0.78 ROCK2 (0.35) KMT2ATSHRHSD17B10LMNAALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 EP disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
EP-2871199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP 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-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, PHOSPHO1 KMT2A 1662/4885TSHR 3484/4885HSD17B10 3128/4885

“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.