SCHEMBL105488

SCHEMBL105488

CC(C)N(C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.48
ADH1C P00326 3/20 0.48
ADH1B P00325 1/20 0.48
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13503180 1.00 ADH1A (0.48) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL14397102 1.00 ADH1A (0.48) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL104779 0.97 ADH1A (0.44) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL10093885 0.94
SCHEMBL18458215 0.85 ADH1B (0.32) ADH1AADH1CADH1B
SCHEMBL13397343 0.85
SCHEMBL23178016 0.84 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL29346796 0.82 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL27089783 0.80 ADH1B (0.33) ADH1AADH1CADH1B
Methyl Alcohol SCHEMBL28023379 0.80 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 224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2023225664-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-11-23 WO disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 WO disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-11 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
CN-1290926-C Lactic acid polymer composition and molded object thereof NEW JAPAN CHEM CO LTD (JP) 2006-12-20 CN disclosed
CN-1585802-A Lactic acid polymer composition and molded object thereof NEW JAPAN CHEM CO LTD (JP) 2005-02-23 CN disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
US-4379862-A Process for the preparation of polyurethane resins using low molecular weight polyhydroxyl compounds prepared by the condensation of formaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
US-4301310-A USING SYNTHESIS GAS DIRECTLY AS THE SOURCE OF FORMALDEHYDE BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed
EP-0001210-B1 MIXTURES CAPABLE OF REACTING WITH ISOCYANATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN A PROCESS FOR THE PRODUCTION OF POLYURETHANE-PLASTICS BAYER AG (DE) 1981-04-01 EP disclosed
US-4219508-A FROM CONDENSATION OF UNPURIFIED FORMALDEHYDE BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
EP-0001210-A1 Mixtures capable of reacting with isocyanates, process for their preparation and their use in a process for the production of polyurethane-plastics BAYER AG (DE) 1979-04-04 EP 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 (8 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ADH1A 3768/4885ADH1C 2836/4885ADH1B 3176/4885
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 ADH1A 3661/4885ADH1C 3076/4885ADH1B 3540/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 ADH1A 2036/4885ADH1C 2326/4885ADH1B 2032/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS ADH1A 1620/4885ADH1C 659/4885ADH1B 396/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 ADH1A 2036/4885ADH1C 2326/4885ADH1B 2032/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ADH1A 4306/4885ADH1C 4321/4885ADH1B 3094/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 ADH1A 4855/4885ADH1C 4854/4885ADH1B 3951/4885
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.