SCHEMBL1824124

SCHEMBL1824124

COc1c(C)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP2A6 P11509 3/20 0.56
CYP1A2 P05177 3/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.47
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HPRT1 P00492 1/20 0.42
ERN1 O75460 1/20 0.42
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3635012 0.84 CYP2A6 (0.58) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL24299848 0.81 CYP2A6 (0.54) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL16082559 0.80 ALDH1A1 (0.54) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL3420545 0.79 CYP2A6 (0.52) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL16067921 0.78 ALDH1A1 (0.52) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL30380487 0.78 MAPT (0.67) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL278576 0.78 MAPT (0.67) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL2200643 0.78 HPGD (0.49) TSHRCYP2A6ALDH1A1MAPK1KDM4E
SCHEMBL13588225 0.78 TSHR (0.50) TSHRCYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL29955621 0.78 HPGD (0.49) TSHRCYP2A6ALDH1A1MAPK1KDM4E

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247513-B1 PROCESS FOR PRODUCING 2-METHYL-1,4-NAPHTHOQUINONE Eisai Chemical Co., Ltd. (JP) 1991-09-11 EP claimed
US-4906411-A Process for producing 2-methyl-1,4-naphthoquinone EISAI CHEMICAL CO., LTD. (JP) 1990-03-06 US claimed
EP-0247513-A1 Process for producing 2-methyl-1,4-naphthoquinone Eisai Chemical Co., Ltd. (JP) 1987-12-02 EP claimed
JP-9071887-A None JP disclosed
JP-62294636-A None JP disclosed
WO-2024005428-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-04 WO disclosed
WO-2023150374-A1 INDUCERS OF KLF2 AND METHODS OF USE THEREOF RIPARIAN PHARMACEUTICALS, INC. (US) 2023-08-10 WO disclosed
CN-113171798-B Heterogeneous iron catalyst, preparation method thereof and process for preparing 2-methyl-1, 4-naphthoquinone by catalysis 南京工业大学 2023-07-07 CN disclosed
US-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-11339182-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-05-24 US disclosed
US-20220123235-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
JP-H0971887-A PRODUCTION OF 2-METHYL-1,4-NAPHTHOQUINONE SAKOTA KAGAKU KAIHATSU KENKYUSHO:KK 1997-03-18 JP disclosed
US-5420362-A Synthesis of 2-methyl-1-naphthol CLAIROL, INC. (US) 1995-05-30 US disclosed
EP-0247513-B1 PROCESS FOR PRODUCING 2-METHYL-1,4-NAPHTHOQUINONE Eisai Chemical Co., Ltd. (JP) 1991-09-11 EP disclosed
US-4906411-A Process for producing 2-methyl-1,4-naphthoquinone EISAI CHEMICAL CO., LTD. (JP) 1990-03-06 US disclosed
JP-S62294636-A PRODUCTION OF 2-METHYL-1,4-NAPHTHOQUINONE EISAI CO LTD 1987-12-22 JP disclosed
EP-0247513-A1 Process for producing 2-methyl-1,4-naphthoquinone Eisai Chemical Co., Ltd. (JP) 1987-12-02 EP disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 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 (3 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-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, ZFX, PPOX TSHR 2854/4885CYP2A6 982/4885CYP1A2 523/4885
US-11339182-B2 Organic electroluminescent materials and devices CRY2, CRY1, CRYAA TSHR 2355/4885CYP2A6 930/4885CYP1A2 481/4885
US-20220123235-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OXSR1, C1R TSHR 170/4885CYP2A6 3623/4885CYP1A2 2060/4885

“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.