SCHEMBL3706301

SCHEMBL3706301

O=C(c1ccccc1)c1c(Cl)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
CYP1A2 P05177 2/20 0.45
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL3712829 0.86 KMT2A (0.53) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL3705070 0.84 L3MBTL1 (0.41) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL1666684 0.83 KMT2A (0.50) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL27978268 0.83 KMT2A (0.50) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL3703206 0.81 ALDH1A1 (0.47) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL1666392 0.80 KMT2A (0.48) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL1667175 0.77 KMT2A (0.46) KMT2AMEN1CYP1A2ERBB2FYN
Pyrene SCHEMBL27886107 0.76 ALDH1A1 (0.67) KMT2AMEN1CYP1A2ATMTDP1
SCHEMBL8598610 0.76 KMT2A (0.57) KMT2AMEN1CYP1A2ERBB2FYN
SCHEMBL3697006 0.74 CYP2A6 (0.48) KMT2AMEN1CYP1A2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 KMT2A 1032/4885MEN1 1674/4885CYP1A2 10/4885

“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.