SCHEMBL6858730

SCHEMBL6858730

C=C(c1ccccc1)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
ELANE P08246 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 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
SCHEMBL1934073 0.95 ELANE (0.42) MTNR1AMTNR1BHPGDALDH1A1ELANE
SCHEMBL394357 0.93 POLB (0.45) HPGDELANEPOLBMCL1KCNK3
SCHEMBL5734309 0.93 POLB (0.45) HPGDELANEPOLBMCL1KCNK3
SCHEMBL4425242 0.93 ELANE (0.41) ALDH1A1ELANE
SCHEMBL12064486 0.81 HRH3 (0.46) MEN1KMT2A
SCHEMBL29010480 0.80 MAPT (0.46) HPGDALDH1A1USP2MEN1KMT2A
SCHEMBL29010483 0.78 CHRM2 (0.32) KMT2A
SCHEMBL23893550 0.78 KDM1A (0.36) ELANE
SCHEMBL17073070 0.78 ELANE (0.33) ELANEKMT2A
SCHEMBL18856453 0.78 MEN1 (0.49) MEN1KMT2A

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
CN-119192226-A Method for synthesizing photocatalytic organic germanide 延安大学 2024-12-27 CN disclosed
CN-116462561-A Alkylation method of visible light-promoted alkenyl cycloalkane compound 深圳市鹏泰生物科技有限公司 2023-07-21 CN disclosed
CN-108794308-B 1,2,3, 4-tetrahydronaphthalene compound and preparation method and application thereof 北京大学深圳研究生院 2021-07-20 CN disclosed
US-6835860-B2 Halogenation with iodine monochloride and iodine monobromide in an aqueous solution, forming a chemical intermediate for the preparation of indinavir, an HIV protease enzyme inhibitor MERCK & CO., INC. 2004-12-28 US disclosed
US-20030187291-A1 Halogenation with iodine monochloride and iodine monobromide in an aqueous solution, forming a chemical intermediate for the preparation of indinavir, an HIV protease enzyme inhibitor MERCK SHARP & DOHME CORP. 2003-10-02 US disclosed
US-6372911-B1 REACTING COMPOUND CONTAINING AT LEAST ONE CARBON-CARBON DOUBLE BOND WITH CARBAMATE IN AQUEOUS SOLVENT IN PRESENCE OF BASE, OSMIUM CATALYST, CO-OXIDANT, AND OPTIONALLY ASYMMETRIC LIGAND, TO FORM REACTION MIXTURE CONTAINING BETA-HYDROXY CARBAMATE MERCK & CO., INC. 2002-04-16 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-20030187291-A1 Halogenation with iodine monochloride and iodine monobromide in an aqueous solution, forming a chemical intermediate for the preparation of indinavir, an HIV protease enzyme inhibitor IDE, MMP1, CYP3A4 MTNR1A 4198/4885MTNR1B 3155/4885ATM 3762/4885

“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.