SCHEMBL5999749

SCHEMBL5999749

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CO)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
FFAR1 O14842 7/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GSTP1 P09211 1/20 0.37
PTGER4 P35408 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35
ACACB O00763 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GNA15 P30679 1/20 0.35
MMP12 P39900 1/20 0.34

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
SCHEMBL5999143 0.89 PTPN1 (0.41) PTPN1PTPN2FFAR1ESR1ESR2
SCHEMBL6000024 0.85 RXRA (0.52) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL6000154 0.81 PTPN2 (0.43) PTPN1PTPN2FFAR1ESR1ESR2
SCHEMBL6000917 0.80 RXRA (0.46) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL6000207 0.80 PTPN1 (0.44) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL6000080 0.79 PTPN2 (0.42) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL5999776 0.79 PTPN1 (0.52) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL6000084 0.79 PTPN1 (0.44) PTPN1PTPN2FFAR1RXRARXRB
Hydrochloric Acid SCHEMBL6000749 0.79 PTPN1 (0.44) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL5999834 0.79 RXRA (0.42) PTPN1PTPN2FFAR1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (1 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN1 2/4885PTPN2 11/4885FFAR1 274/4885

“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.