SCHEMBL12811320

SCHEMBL12811320

Brc1ccc2oc3cc4c(cc3c2c1)sc1ccc(Br)cc14

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.40
▸ EPM2A O95278 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.40
▸ GABRP O00591 6/20 0.36
▸ GABRD O14764 6/20 0.36
▸ GABRA1 P14867 6/20 0.36
▸ GABRB1 P18505 6/20 0.36
▸ GABRG2 P18507 6/20 0.36
▸ GABRB3 P28472 6/20 0.36
▸ GABRA5 P31644 6/20 0.36
▸ GABRA3 P34903 6/20 0.36
▸ GABRA2 P47869 6/20 0.36
▸ GABRB2 P47870 6/20 0.36
▸ GABRA4 P48169 6/20 0.36
▸ GABRE P78334 6/20 0.36
▸ GABRA6 Q16445 6/20 0.36
▸ GABRG1 Q8N1C3 6/20 0.36
▸ GABRG3 Q99928 6/20 0.36

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
SCHEMBL14039182 0.93 PIM1 (0.40) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL12811607 0.83 EPM2A (0.50) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL1637246 0.83 PIM1 (0.52) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL21622835 0.80 NPC1 (0.42) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL12811248 0.79 PIM1 (0.40) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL216673 0.79 EPM2A (0.53) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL29432245 0.79 EPM2A (0.53) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL10227300 0.77 EPM2A (0.49) PIM1EPM2APTPN2PTPN1PTPN22
SCHEMBL10227215 0.77 PIM1 (0.50) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL25989887 0.76 GPR3 (0.38) EPM2APTPN2PTPN1PTPN22GABRP

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
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PIM1 1149/4885EPM2A 1912/4885PTPN2 2651/4885

“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.

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