SCHEMBL14877160

SCHEMBL14877160

O=Cc1cc(Br)cc(Br)c1-c1c(Br)cc(Br)cc1C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.61
▸ PTPN1 P18031 2/20 0.43
▸ PRKDC P78527 1/20 0.39
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ CYP2A6 P11509 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL6900735 0.80 ERN1 (0.61) ERN1PTPN1PRKDCTDP1CYP3A4
SCHEMBL10496045 0.78 ERN1 (0.59) ERN1PTPN1PRKDCCA1CA2
SCHEMBL29353535 0.76 ERN1 (0.57) ERN1PTPN1PRKDCCA1CA2
SCHEMBL29371317 0.76 ERN1 (1.00) ERN1CA1CA2CA9TDP1
SCHEMBL14876998 0.76 ERN1 (0.47) ERN1PTPN1PRKDCLMNAALDH1A1
SCHEMBL2120180 0.76 ERN1 (1.00) ERN1CA1CA2CA9TDP1
SCHEMBL1592418 0.76 ERN1 (0.57) ERN1PTPN1PRKDCTDP1CYP3A4
SCHEMBL285148 0.76 ERN1 (0.57) ERN1PTPN1PRKDCCA1CA2
SCHEMBL21230508 0.76 ERN1 (0.57) ERN1PTPN1PRKDCTDP1CYP3A4
SCHEMBL27987006 0.76 ERN1 (0.57) ERN1PTPN1PRKDCCA1CA2

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-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 — — EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 — — US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 — — EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 — — 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-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 ERN1 3240/4885PTPN1 4057/4885PRKDC 4723/4885

“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.

Send feedback