SCHEMBL1699478

SCHEMBL1699478

COc1ccc(COC(=O)C(OCc2ccc(OC)cc2)c2c(C)cc3cc(Cl)ccc3c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DHODH Q02127 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.36
PLA2G2A P14555 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL1699312 0.95 ALOX15 (0.39) CCR2MEN1KMT2ADHODHL3MBTL1
SCHEMBL1699600 0.94 MEN1 (0.40) CCR2MEN1KMT2ADHODHL3MBTL1
SCHEMBL1699727 0.91 CCR2 (0.41) CCR2MEN1KMT2ADHODHL3MBTL1
SCHEMBL1699428 0.83 MAPT (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAOA
SCHEMBL1699498 0.82 PSEN1 (0.44) MEN1KMT2ADHODHL3MBTL1ALDH1A1
SCHEMBL1699415 0.82 PTGDR2 (0.41) CCR2ALDH1A1ALOX15PLA2G2ASMN1; SMN2
SCHEMBL1699736 0.79 PTPN11 (0.41) MEN1KMT2AALOX15GABRA2GABRB2
SCHEMBL10272103 0.77 MAPT (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAOA
SCHEMBL1699424 0.77 PTGDR2 (0.36) CCR2MEN1KMT2AALOX15SMN1; SMN2
SCHEMBL1699290 0.74 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CCR2 2173/4885MEN1 4061/4885KMT2A 375/4885

“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.