SCHEMBL6820256

SCHEMBL6820256

O=Cc1ccc2cc(Cl)ccc2c1CF

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 2/20 0.40
TYMS P04818 1/20 0.38
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.36
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
F11 P03951 1/20 0.31

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
SCHEMBL6820028 0.89 TDP1 (0.47) TDP1ERN1TYMSPOLBPTPN1
SCHEMBL29967129 0.78 TDP1 (0.53) TDP1ERN1TYMSPOLBPTPN1
SCHEMBL30856023 0.75 TDP1 (0.50) TDP1ERN1TYMSPOLBPTPN1
SCHEMBL15813516 0.72 TDP1 (0.55) TDP1ERN1PTPN1PTGER4ALDH1A1
SCHEMBL4866312 0.70 TDP1 (0.48) TDP1ERN1TYMSPTPN1CYP2A6
SCHEMBL29952376 0.68 ERN1 (0.52) TDP1ERN1PTPN1PTGER4ALDH1A1
SCHEMBL11812454 0.68 HSD17B10 (0.52) TDP1ERN1TYMSPOLBPTGER4
SCHEMBL6561368 0.67 CYP2A6 (0.57) TDP1TYMSPOLBALDH1A1CYP2A6
SCHEMBL6820167 0.67 TDP1 (0.44) TDP1ERN1TYMSALDH1A1CYP2A6
SCHEMBL28336792 0.67 TDP1 (0.53) TDP1ERN1POLBPTPN1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995734-B1 Method for production of halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6433231-B2 BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-13 US disclosed
US-20010045350-A1 Method for production of halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-11-29 US disclosed
US-6288290-B1 BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS NIPPON SHOKUBAI, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0995734-A1 Method for production of halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2000-04-26 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-20010045350-A1 Method for production of halogen-containing aromatic compound CBR1, CBR3, DCXR TDP1 2733/4885ERN1 1246/4885TYMS 4023/4885

“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.