SCHEMBL16067549

SCHEMBL16067549

Oc1c(-c2ccc(Br)cc2F)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 2/20 0.51
▸ RCE1 Q9Y256 2/20 0.47
▸ PTPN22 Q9Y2R2 1/20 0.43
▸ CYP2A6 P11509 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPRT1 P00492 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16067918 0.89 NMUR2 (0.50) NMUR2RCE1PTPN22CYP2A6POLB
SCHEMBL10122749 0.81 HSP90AA1 (0.49) NMUR2RCE1PTPN22CYP2A6POLB
SCHEMBL24825177 0.81 GRM2 (0.50) PTPN22CYP2A6HPRT1AKR1C3AKR1C2
SCHEMBL29401627 0.78 PTPN22 (0.65) PTPN22CYP2A6POLBHPRT1CYP1A2
SCHEMBL374807 0.78 PTPN22 (0.65) PTPN22CYP2A6POLBHPRT1CYP1A2
SCHEMBL9110357 0.78 CYP2A6 (0.45) NMUR2CYP2A6MEN1NPC1RAB9A
SCHEMBL19082471 0.78 NMUR2 (0.46) NMUR2RCE1PTPN22CYP2A6POLB
SCHEMBL16067545 0.77 ACHE (0.41) NMUR2CYP2A6HPRT1AKR1C3AKR1C2
SCHEMBL1840828 0.76 PTPN22 (0.62) PTPN22CYP2A6POLBHPRT1CYP1A2
SCHEMBL5155985 0.76 PTPN22 (0.62) PTPN22CYP2A6POLBHPRT1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 — — US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 — — US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 — — US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 — — US disclosed
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 — — EP disclosed
WO-2014141725-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 (JP) 2014-09-18 — — WO 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 (2 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-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM NMUR2 1960/4885RCE1 2263/4885PTPN22 3764/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM NMUR2 1960/4885RCE1 2263/4885PTPN22 3764/4885

“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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