SCHEMBL4695318

SCHEMBL4695318

CCOC(=O)N(C)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PTGER4 P35408 2/20 0.35
TACR1 P25103 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRD1 P41143 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL14573729 1.00 TSHR (0.37) TSHRPTGER4TACR1MEN1KMT2A
SCHEMBL14573798 0.92 TACR1 (0.31) TSHRPTGER4TACR1MAPTKDM4E
SCHEMBL14573822 0.87 TSHR (0.41) TSHRPTGER4TACR1MEN1KMT2A
SCHEMBL4694444 0.86 TSHR (0.41) TSHRPTGER4TACR1MEN1KMT2A
SCHEMBL14573710 0.86 MAPK1 (0.32) TACR1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL4693897 0.86 MAPK1 (0.32) TACR1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL4693900 0.86 MAPK1 (0.32) TACR1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL4693904 0.86 MAPK1 (0.32) TACR1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL14573824 0.84 PTGER4 (0.36) TSHRPTGER4TACR1L3MBTL1
SCHEMBL13943887 0.78 KDM4E (0.40) PTGER4TACR1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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 (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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS TSHR 4773/4885PTGER4 3914/4885TACR1 4662/4885

“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.