SCHEMBL4860971

SCHEMBL4860971

CCOC(=O)c1cc2c(I)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
F9 P00740 2/20 0.52
F10 P00742 1/20 0.52
SLC9A1 P19634 2/20 0.50
KDM4E B2RXH2 4/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46

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
SCHEMBL9612657 0.85 SLC9A1 (0.56) PLAUF9SLC9A1KDM4ETSHR
SCHEMBL18264031 0.84 ALDH1A1 (0.54) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL829725 0.84 SLC9A1 (0.56) PLAUF9F10SLC9A1KDM4E
SCHEMBL17080891 0.83 SLC9A1 (0.53) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL9612633 0.83 HDAC3 (0.58) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL29443071 0.83 HDAC3 (0.58) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL6754949 0.83 F9 (0.50) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL18264039 0.82 HDAC3 (0.64) PLAUF9F10SLC9A1KDM4E
SCHEMBL13737947 0.81 SLC9A1 (0.55) F9SLC9A1KDM4ETSHRHSD17B10
SCHEMBL17866240 0.81 F9 (0.46) F9SLC9A1KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB PLAU 2556/4885F9 1911/4885F10 1632/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB PLAU 2336/4885F9 1857/4885F10 1748/4885

“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.