SCHEMBL6720303

SCHEMBL6720303

CC(C)n1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
POLB P06746 2/20 0.54
LDHA P00338 3/20 0.43
LDHB P07195 3/20 0.43
HNF4A P41235 1/20 0.42
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
FEN1 P39748 2/20 0.39
ERCC5 P28715 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL6720304 0.89 KDM4E (0.53) HTTPOLBKDM4EGAAFEN1
SCHEMBL6720306 0.81 ALDH1A1 (0.43) HTTPOLBLDHALDHBKDM4E
SCHEMBL6720305 0.80 HIF1A (0.53) HTTPOLBKDM4EGAAFEN1
SCHEMBL6720312 0.78 KDM4E (0.67) HTTPOLBKDM4EGAAALDH1A1
SCHEMBL6720318 0.75 L3MBTL1 (0.47) HTTKDM4EGAAALDH1A1MEN1
SCHEMBL12168225 0.72 POLB (0.62) HTTPOLBKDM4EGAAALDH1A1
SCHEMBL5464803 0.70 POLB (0.59) HTTPOLBKDM4EGAAALDH1A1
SCHEMBL5543120 0.69 HTT (0.41) HTTPOLBKDM4EGAAALDH1A1
SCHEMBL6720319 0.69 HTT (0.50) HTTPOLBKDM4EALDH1A1HPGD
SCHEMBL6720307 0.68 HTT (0.50) HTTPOLBKDM4EALDH1A1HPGD

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 HTT 3558/4885POLB 26/4885LDHA 618/4885

“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.