SCHEMBL102718

SCHEMBL102718

CCCCCC(CCC)COC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP3A4 P08684 4/20 0.38
OPRM1 P35372 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TSHR P16473 2/20 0.33
DNM1 Q05193 1/20 0.33
ATM Q13315 1/20 0.33
SMPD1 P17405 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
SCHEMBL17526633 1.00 LMNA (0.44) LMNACA12CA1CA2CA7
SCHEMBL17527033 0.98 LMNA (0.48) LMNACA12CA1CA2CA7
SCHEMBL17526939 0.98 LMNA (0.48) LMNACA12CA1CA2CA7
SCHEMBL13886259 0.93 LMNA (0.52) LMNACYP3A4OPRM1L3MBTL1ZDHHC7
SCHEMBL17199784 0.93 LMNA (0.52) LMNACYP3A4OPRM1L3MBTL1ZDHHC7
SCHEMBL17526839 0.93 CYP3A4 (0.44) LMNACA12CA1CA2CA7
SCHEMBL18893399 0.93 LMNA (0.52) LMNACYP3A4OPRM1L3MBTL1ZDHHC7
SCHEMBL10419386 0.93 LMNA (0.52) LMNACYP3A4OPRM1L3MBTL1ZDHHC7
SCHEMBL10419687 0.93 LMNA (0.52) LMNACYP3A4OPRM1L3MBTL1ZDHHC7
SCHEMBL17526862 0.93 LMNA (0.46) LMNACA1CA2CYP3A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9312491-B2 Polymer and photoelectric conversion element JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-04-12 US disclosed
US-9312491-B2 Polymer and photoelectric conversion element JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-04-12 US disclosed
US-9000220-B2 Organophosphorus compounds based on tetraphenol (TP)-substituted structures EVONIK DEGUSSA GMBH (DE) 2015-04-07 US disclosed
US-8940943-B2 Cosmetic preparations COGNIS IP MANAGEMENT GMBH (DE) 2015-01-27 US disclosed
US-8940943-B2 Cosmetic preparations COGNIS IP MANAGEMENT GMBH (DE) 2015-01-27 US disclosed
EP-2132167-B1 METHOD FOR THE PRODUCTION OF beta-KETONITRILES BASF SE (DE) 2013-12-25 EP disclosed
US-8501748-B2 Method for the production of β-ketonitriles BASF SE (DE) 2013-08-06 US disclosed
EP-2601166-A1 COSMETIC PREPARATIONS Cognis IP Management GmbH (DE) 2013-06-12 EP disclosed
US-20130131188-A1 Cosmetic Preparations COGNIS IP MANAGEMENT GMBH (DE) 2013-05-23 US disclosed
US-20130131188-A1 Cosmetic Preparations COGNIS IP MANAGEMENT GMBH (DE) 2013-05-23 US disclosed
US-20130005970-A1 Method for the production of beta-ketonitriles BASF SE (DE) 2013-01-03 US disclosed
US-8309751-B2 Method for the production of β-ketonitriles BASF SE (DE) 2012-11-13 US disclosed
EP-2426101-A1 Cosmetic preparations Cognis IP Management GmbH (DE) 2012-03-07 EP disclosed
EP-2426101-A1 Cosmetic preparations Cognis IP Management GmbH (DE) 2012-03-07 EP disclosed
WO-2012016642-A1 COSMETIC PREPARATIONS COGNIS IP MANAGEMENT GMBH (DE) 2012-02-09 WO disclosed
WO-2012016642-A1 COSMETIC PREPARATIONS COGNIS IP MANAGEMENT GMBH (DE) 2012-02-09 WO disclosed
US-20100105903-A1 Method for the production of beta-ketonitriles BASF SE (DE) 2010-04-29 US disclosed
EP-2132167-A1 METHOD FOR THE PRODUCTION OF -KETONITRILES BASF SE (DE) 2009-12-16 EP disclosed
WO-2008107397-A1 METHOD FOR THE PRODUCTION OF β-KETONITRILES BASF SE (DE) 2008-09-12 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 (3 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-20130005970-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 LMNA 262/4885CA12 962/4885CA1 704/4885
US-20130131188-A1 Cosmetic Preparations CYP1B1, CBR1, ACOX3 LMNA 1943/4885CA12 3057/4885CA1 4471/4885
US-20100105903-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 LMNA 262/4885CA12 962/4885CA1 704/4885

“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.