SCHEMBL104779

SCHEMBL104779

CC(C)N(C)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.44
ADH1C P00326 5/20 0.44
ADH1B P00325 1/20 0.44
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADH4 P08319 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL105488 0.97 ADH1A (0.48) ADH1AADH1CADH1BALDH1A1TSHR
SCHEMBL14397102 0.97 ADH1A (0.48) ADH1AADH1CADH1BALDH1A1TSHR
SCHEMBL13503180 0.97 ADH1A (0.48) ADH1AADH1CADH1BALDH1A1TSHR
SCHEMBL10093885 0.97
SCHEMBL18458215 0.88 ADH1B (0.32) ADH1AADH1CADH1B
SCHEMBL13397343 0.88
SCHEMBL23178016 0.87 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL29346796 0.84 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL27089783 0.83 ADH1B (0.33) ADH1AADH1CADH1B
Methyl Alcohol SCHEMBL28023379 0.82 CCR2 (0.31) ADH1AADH1CADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20230174518-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-06-08 US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-11358985-B2 Tripeptide compound, preparation method therefor, and application thereof NORTHWEST UNIVERSITY (CN) 2022-06-14 US disclosed
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 US disclosed
US-10961256-B2 PRMT5 inhibitors CTXT PTY LTD (AU) 2021-03-30 US disclosed
EP-3189042-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3426640-B1 PRMT5 INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP disclosed
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 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 (11 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 ADH1A 3936/4885ADH1C 3407/4885ADH1B 4221/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADH1A 894/4885ADH1C 1127/4885ADH1B 1706/4885
US-20230174518-A1 KRAS G12D PROTEIN INHIBITORS KRAS, NRAS, HRAS ADH1A 3206/4885ADH1C 3538/4885ADH1B 3568/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADH1A 894/4885ADH1C 1127/4885ADH1B 1706/4885
US-11358985-B2 Tripeptide compound, preparation method therefor, and application thereof VIP, PREP, ACE ADH1A 4078/4885ADH1C 2535/4885ADH1B 1760/4885
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 ADH1A 4143/4885ADH1C 4689/4885ADH1B 4408/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 ADH1A 866/4885ADH1C 590/4885ADH1B 209/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 ADH1A 492/4885ADH1C 701/4885ADH1B 489/4885
US-10961256-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 ADH1A 2596/4885ADH1C 979/4885ADH1B 2761/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS ADH1A 3226/4885ADH1C 3212/4885ADH1B 1402/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ADH1A 3124/4885ADH1C 2203/4885ADH1B 2577/4885

“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.