SCHEMBL6477690

SCHEMBL6477690

[Na].c1ccc([Se]c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.56
EHMT2 Q96KQ7 4/20 0.56
EHMT1 Q9H9B1 4/20 0.56
ALDH1A1 P00352 4/20 0.38
HTR6 P50406 1/20 0.35
MAOA P21397 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CA7 P43166 3/20 0.33
ALOX12 P18054 2/20 0.33
CA12 O43570 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL150725 0.96 BBOX1 (0.60) BBOX1EHMT2EHMT1ALDH1A1MAOA
Bromide SCHEMBL9069068 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Hydrochloric Acid SCHEMBL1157944 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Bromide SCHEMBL31300172 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Hydrochloric Acid SCHEMBL3629169 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Bromide SCHEMBL9069066 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Hydrochloric Acid SCHEMBL30039649 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Phosphine SCHEMBL14917741 0.92 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAOA
Hydrochloric Acid SCHEMBL10533844 0.89 BBOX1 (0.53) BBOX1EHMT2EHMT1ALDH1A1MAOA
Hydrochloric Acid SCHEMBL10525049 0.89 BBOX1 (0.53) BBOX1EHMT2EHMT1ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220378738-A1 (+)-TRANS TETRAHYDROCANNABINOL ((+)-TRANS-THC) FOR USE AS A MEDICAMENT JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2022-12-01 US disclosed
CN-114786664-A (+) -Trans tetrahydrocannabinol ((+) -Trans-THC) as a medicament 吉伟研究有限公司 2022-07-22 CN disclosed
US-11242296-B2 Decomposition of organic peroxides and hydrogen peroxide by the iron thiolates and related complexes NUTECH VENTURES (US) 2022-02-08 US disclosed
WO-2021079137-A1 (+)-TRANS TETRAHYDROCANNABINOL ((+)-TRANS-THC) FOR USE AS A MEDICAMENT GW Research Limited (GB) 2021-04-29 WO disclosed
CN-105152992-B Cyclopiane tetracyclic diterpene analogue and synthesis method and application thereof 兰州大学 2021-01-26 CN disclosed
US-20200181038-A1 DECOMPOSITION OF ORGANIC PEROXIDES AND HYDROGEN PEROXIDE BY THE IRON THIOLATES AND RELATED COMPLEXES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2020-06-11 US disclosed
US-6855708-B2 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-02-15 US disclosed
US-20040171072-A1 Solid support based on selenium useful in solid phase synthesis H. LUNDBECK A/S (DK) 2004-09-02 US disclosed
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2003-01-09 US disclosed
EP-1086153-A1 A SOLID SUPPORT BASED ON SELENIUM USEFUL IN SOLID PHASE SYNTHESIS H. LUNDBECK A/S (DK) 2001-03-28 EP disclosed
CN-1106403-A 3-hydroxy-4-hydroxymethyl-2-methylenecyclopentyl purines and pyrimidines BRISTOL MYERS SQUIBB CO (US) 1995-08-09 CN disclosed
EP-0630897-A2 3-Hydroxy-4-hydroxymethyl-2-methylene-cyclopentyl purines and pyrimidines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-28 EP disclosed
EP-0343734-B1 CATALYST COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-11 EP disclosed
EP-0211954-B1 USE OF (+/-)-CIS-GAMMA-IRONE IN PERFUMERY AND NOVEL PROCESS FOR PREPARING SAME T. HASEGAWA COMPANY, LTD. (JP) 1991-07-17 EP disclosed
WO-1991001318-A1 SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-02-07 WO disclosed
US-4948870-A Polymerization process SHELL OIL COMPANY (US) 1990-08-14 US disclosed
US-4900782-A Stabilized polyelectrolyte precursors of poly(aromatic and heteroaromatic vinylenes) ALLIED-SIGNAL INC. (US) 1990-02-13 US disclosed
EP-0343734-A1 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-29 EP disclosed
EP-0211954-A1 USE OF (+/-)-CIS-GAMMA-IRONE IN PERFUMERY AND NOVEL PROCESS FOR PREPARING SAME T. HASEGAWA COMPANY, LTD. (JP) 1987-03-04 EP disclosed
US-4281148-A FROM EPOXIDE AND TRIORGANOSILYLTRIFLUOROMETHANESULFONATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1981-07-28 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 (4 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-20220378738-A1 (+)-TRANS TETRAHYDROCANNABINOL ((+)-TRANS-THC) FOR USE AS A MEDICAMENT CNR2, CNR1, FAAH BBOX1 1105/4885EHMT2 1513/4885EHMT1 1913/4885
US-20200181038-A1 DECOMPOSITION OF ORGANIC PEROXIDES AND HYDROGEN PEROXIDE BY THE IRON THIOLATES AND RELATED COMPLEXES GPX4, LPO, CAT BBOX1 526/4885EHMT2 1720/4885EHMT1 2623/4885
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors VCAM1, CD4, ITGA4 BBOX1 2924/4885EHMT2 2553/4885EHMT1 2083/4885
US-11242296-B2 Decomposition of organic peroxides and hydrogen peroxide by the iron thiolates and related complexes GPX4, LPO, CAT BBOX1 526/4885EHMT2 1720/4885EHMT1 2623/4885

“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.