SCHEMBL643574

SCHEMBL643574

CC(C)C(C)(CN)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL20624537 0.84 ALDH1A1 (0.35) CYP2D6ALDH1A1
SCHEMBL24087776 0.80 CYP2D6 (0.32) CYP2D6
SCHEMBL21401052 0.80 ALDH1A1 (0.38) CYP2D6ALDH1A1
SCHEMBL2559930 0.73
SCHEMBL3833786 0.71
SCHEMBL6155261 0.69
SCHEMBL19798015 0.67 CYP2D6 (0.37) CYP2D6ALDH1A1
SCHEMBL200996 0.67 CYP2D6 (0.37) CYP2D6ALDH1A1
SCHEMBL9134361 0.67 TSHR (0.40) ALDH1A1
SCHEMBL3455319 0.67 TSHR (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024165361-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-08-15 WO claimed
CN-110869365-B Cooling composition 弗门尼舍有限公司 2024-03-29 CN claimed
WO-2023138938-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2023-07-27 WO claimed
EP-2847246-B1 PREPARATION OF POLYISOCYANATES HAVING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2016-04-20 EP claimed
EP-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 EP claimed
US-8742166-B2 Preparation of polyisocyanates having isocyanurate groups and their use BASF SE (DE) 2014-06-03 US claimed
US-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 US claimed
US-20130303758-A1 PREPARATION OF POLYISOCYANATES HAVING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2013-11-14 US claimed
US-8119799-B2 Method for the production of polyisocyanates comprising isocyanurate groups and use therof BASF AKTIENGESELLSCHAFT (DE) 2012-02-21 US claimed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 US claimed
EP-1727842-B1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF BASF SE (DE) 2008-12-17 EP claimed
US-20070197759-A1 Method for the production of polyisocyanates comprising isocyanurate groups and use therof BASF AKTIENGESELLSCHAFT (DE) 2007-08-23 US claimed
EP-4367152-B1 POLYISOCYANATE-CONTAINING FORMULATIONS BASF SE (DE) 2025-08-06 EP disclosed
US-20250019483-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2025-01-16 US disclosed
EP-4433519-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-09-25 EP disclosed
CN-118613517-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-09-06 CN disclosed
US-20030143607-A1 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof YANG GUOHAN (US) 2003-07-31 US disclosed
US-6504019-B2 Used in place of conventionally labeled oligonucleotides for a variety of hybridization reactions BAYER CORPORATION 2003-01-07 US disclosed
US-20020015953-A1 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof BAYER CORPORATION 2002-02-07 US disclosed
EP-1136569-A2 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof Bayer Corporation (US) 2001-09-26 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 (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-20130303758-A1 PREPARATION OF POLYISOCYANATES HAVING ISOCYANURATE GROUPS AND THEIR USE UROD, ACMSD, DDC CYP2D6 1008/4885ALDH1A1 2640/4885
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L CYP2D6 4124/4885ALDH1A1 2704/4885
US-20020015953-A1 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof DNTT, NSUN3, NCL CYP2D6 4177/4885ALDH1A1 3124/4885
US-20030143607-A1 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof DNTT, NSUN3, NCL CYP2D6 4177/4885ALDH1A1 3124/4885

“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.