SCHEMBL17402425

SCHEMBL17402425

CCCCCCCCCOc1cccc(CN)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
GGPS1 O95749 2/20 0.58
DHFR P00374 8/20 0.56
PLA2G4B P0C869 1/20 0.54
SMPD1 P17405 3/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL9819746 1.00 TSHR (0.66) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL15922807 1.00 TSHR (0.66) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL25170047 1.00 TSHR (0.66) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL15923537 1.00 TSHR (0.66) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL6529839 0.98 TSHR (0.63) TSHRGGPS1DHFRPLA2G4B
Hydrazine SCHEMBL15923135 0.97 TSHR (0.62) TSHRGGPS1DHFRPLA2G4BSMPD1
Hydrazine SCHEMBL15923078 0.97 TSHR (0.62) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL24675796 0.94 TSHR (0.59) TSHRGGPS1DHFRPLA2G4BSMPD1
SCHEMBL2903758 0.93 TSHR (0.56) TSHRGGPS1DHFRPLA2G4B
SCHEMBL12408537 0.91 PRSS1 (0.51) TSHRGGPS1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849099-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-12-26 US disclosed
US-9849099-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-12-26 US disclosed
US-20160374964-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-29 US disclosed
US-9440920-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-09-13 US disclosed
US-9440920-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-09-13 US disclosed
US-20160002163-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20160002163-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US 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-20160002163-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF PCNA, TOP1, SPOUT1 TSHR 4290/4885GGPS1 1558/4885DHFR 904/4885
US-20160374964-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF PCNA, TOP1, SPOUT1 TSHR 4290/4885GGPS1 1558/4885DHFR 904/4885

“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.