SCHEMBL2031900

SCHEMBL2031900

CC1(C)OCC(COC(=O)CC#N)O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR7 P34969 1/20 0.34
DGAT1 O75907 1/20 0.34
APP P05067 1/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALK Q9UM73 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MAPT P10636 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
SCHEMBL3685538 0.83 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL19301013 0.83 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL12199638 0.82 CA2 (0.49) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL15956257 0.81 CA2 (0.51) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL12199633 0.81 CA2 (0.51) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL12572608 0.81 CA2 (0.51) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL25819885 0.81 CA2 (0.48) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL9080283 0.80 CA2 (0.50) CA2LMNAPOLB
SCHEMBL21135532 0.80 CA2 (0.50) CA2LMNAPOLB
SCHEMBL3188329 0.80 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities L'OREAL (FR) 2022-10-04 US disclosed
EP-2734180-B1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES OREAL (FR) 2021-03-31 EP disclosed
EP-2734499-B1 MEROCYANINE DERIVATIVES BASF SE (DE) 2020-06-24 EP disclosed
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-9550730-B2 Merocyanine derivatives BASF SE (DE) 2017-01-24 US disclosed
US-20130064871-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2013-03-14 US disclosed
WO-2013011480-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2013-01-24 WO disclosed
EP-2547314-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'Oréal (FR) 2013-01-23 EP disclosed
US-20120302603-A1 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-29 US disclosed
US-20120302603-A1 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-29 US disclosed
US-20120302603-A1 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-29 US disclosed
EP-2509940-A2 AMYLOID BINDING AGENTS The Regents of the University of California (US) 2012-10-17 EP disclosed
WO-2011113719-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 WO disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 WO disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 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 (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-20130064871-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT DDT, PCCA, DDC CA2 381/4885ALDH1A1 1102/4885NPSR1 4847/4885
US-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities KRT18, LAGE3, TYR CA2 3080/4885ALDH1A1 1018/4885NPSR1 4574/4885
US-20120302603-A1 AMYLOID BINDING AGENTS APP, APBA1, PSEN1 CA2 2146/4885ALDH1A1 3897/4885NPSR1 2925/4885
US-20170315137-A1 AMYLOID BINDING AGENTS APBA1, APP, PSEN1 CA2 2602/4885ALDH1A1 4267/4885NPSR1 2861/4885

“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.