SCHEMBL3440805

SCHEMBL3440805

O=C1CCCCC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 1/20 0.43
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.32
SLC18A3 Q16572 1/20 0.32
MAPT P10636 1/20 0.32
TLR4 O00206 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL26107454 0.88 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL19807604 0.83
SCHEMBL13255133 0.83
SCHEMBL1266170 0.83
SCHEMBL8569287 0.80 CA1 (0.44) CA1CA2CA4KMT2AMCL1
SCHEMBL5242956 0.79 CA1 (0.30) CA1CA2CA4
SCHEMBL4611126 0.78 CA1 (0.40) CA1CA2CA4KMT2A
SCHEMBL3537331 0.70
SCHEMBL21995884 0.70 SLC6A3 (0.33)
SCHEMBL83479 0.70

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277357-B1 USE AS UV FILTERS, IN PARTICULAR IN COSMETIC OR PHARMACEUTICAL FORMULATIONS. MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-08-21 US claimed
EP-0694521-B1 Ketotricyclo(5.2.1.0)decane derivatives MERCK PATENT GMBH (DE) 1998-01-21 EP claimed
US-5628988-A SUNSCREEN AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-13 US claimed
EP-0582711-B1 KETOTRICYCLO(5.2.1.0)DECANE DERIVATES MERCK PATENT GMBH (DE) 1996-08-28 EP claimed
US-20170305871-A1 LONG-CHAINED MONO AND DI-ESTERS OF 2,5-DI(HYDROXYMETHYL)TETRAHYDROFURAN, USE AND PRODUCTION THEREOF BASF SE (DE) 2017-10-26 US disclosed
US-7807616-B2 Geranonitrile substitute HENKEL AG & CO. KGAA (DE) 2010-10-05 US disclosed
US-20070265183-A1 fragrance mixture for laundering, care and/or cleaning component; producing a citrus odor; 3,7-dimethyloct-6-enenitrile mixtures; stability; nontoxic HENKEL AG & CO. KGAA (DE) 2007-11-15 US disclosed
US-20060213801-A1 Film packaged product portion and method for producing the same HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-28 US disclosed
US-7091169-B2 Fabric-care agent CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-15 US disclosed
US-20060110352-A1 Cosmetic, pharmaceutical and dermatological compositions CLARIANT GMBH 2006-05-25 US disclosed
US-20050209183-A1 Cosmetic or pharmaceutical preparations comprising nucleic acids based on non-methylated CPG motifs PHENION GMBH & CO. KG (DE) 2005-09-22 US disclosed
US-20040224873-A1 Agent and device and method for producing the same HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-11-11 US disclosed
US-20030150064-A1 Fabric-care agent CIBA SPECIALTY CHEMICALS CORP. 2003-08-14 US disclosed
US-6277357-B1 USE AS UV FILTERS, IN PARTICULAR IN COSMETIC OR PHARMACEUTICAL FORMULATIONS. MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-08-21 US disclosed
US-5628988-A SUNSCREEN AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-13 US disclosed
US-5628988-A SUNSCREEN AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-13 US disclosed
US-5628988-A SUNSCREEN AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-13 US disclosed
WO-1993016978-A1 KETOTRICYCLO(5.2.1.0)DECANE DERIVATES MERCK PATENT GMBH (DE) 1993-09-02 WO 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 (2 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-20060110352-A1 Cosmetic, pharmaceutical and dermatological compositions CACNA1C, CACNA1G, CACNA1E CA1 1911/4885CA2 27/4885CA4 619/4885
US-20170305871-A1 LONG-CHAINED MONO AND DI-ESTERS OF 2,5-DI(HYDROXYMETHYL)TETRAHYDROFURAN, USE AND PRODUCTION THEREOF DHPS, HDHD5, DHODH CA1 2431/4885CA2 1802/4885CA4 2013/4885

“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.