SCHEMBL20101801

SCHEMBL20101801

OC(c1ccccc1)(c1ccccc1)c1ccccc1Oc1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.40
▸ TNF P01375 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ SCN9A Q15858 6/20 0.34
▸ TNFSF11 O14788 1/20 0.34
▸ RORC P51449 3/20 0.33
▸ ESRRA P11474 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL13335079 0.81 NR4A2 (0.50) NR4A2KDM4EPOLBCTDSP1SCN9A
SCHEMBL20101784 0.77 CRHBP (0.36) CYP2C9CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL20101800 0.70 NR4A2 (0.69) NR4A2KDM4ERORCALDH1A1
SCHEMBL21732401 0.69 CRHBP (0.38) KDM4ECYP2C9ALDH1A1CYP1A2CYP2D6
SCHEMBL28878338 0.69 NR4A2 (0.55) NR4A2KDM4EPOLBCTDSP1RORC
SCHEMBL10323801 0.68 SCN9A (0.44) NR4A2KDM4EPOLBCTDSP1SCN9A
SCHEMBL10323800 0.67 NR4A2 (0.40) NR4A2KDM4EPOLBCTDSP1SCN9A
SCHEMBL152232 0.66 NR4A2 (0.51) NR4A2KDM4EPOLBCTDSP1ESRRA
SCHEMBL20101796 0.66 CYP19A1 (0.33) —
SCHEMBL7431522 0.66 NR4A2 (0.56) NR4A2KDM4ESCN9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123057-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-03 — — US disclosed
US-20180123057-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-03 — — 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-20180123057-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME BMI1, PIEZO1, ETV6 NR4A2 2484/4885TNF 4120/4885KDM4E 1045/4885

“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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