SCHEMBL6720306

SCHEMBL6720306

CCC(C)n1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccc(F)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CNR2 P34972 1/20 0.34
HIF1A Q16665 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33

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
SCHEMBL6720311 0.91 L3MBTL1 (0.39) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720314 0.83 CNR2 (0.43) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720318 0.82 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720303 0.81 HTT (0.54) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720319 0.78 HTT (0.50) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720307 0.77 HTT (0.50) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6720316 0.77 CNR2 (0.38) MEN1KMT2AL3MBTL1CNR2
SCHEMBL6720304 0.77 KDM4E (0.53) HTTKDM4ELMNAMAPK1L3MBTL1
SCHEMBL6720315 0.74 L3MBTL1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CNR2
SCHEMBL6720313 0.72 TRPC5 (0.35) ALDH1A1MEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 ALDH1A1 265/4885MEN1 4601/4885KMT2A 1477/4885

“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.