SCHEMBL6720307

SCHEMBL6720307

CCCCCn1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccc(F)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CNR2 P34972 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
XBP1 P17861 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
SCHEMBL6720319 0.97 HTT (0.50) HTTKDM4EHPGDLMNATP53
SCHEMBL6720318 0.84 L3MBTL1 (0.47) HTTKDM4ELMNACNR2SMN1; SMN2
SCHEMBL29280449 0.78 MEN1 (0.74) HTTKDM4EHPGDLMNATP53
SCHEMBL28511432 0.78 ALDH1A1 (0.54) HTTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL6720306 0.77 ALDH1A1 (0.43) HTTKDM4ELMNACNR2MEN1
SCHEMBL6126717 0.77 HTT (0.74) HTTKDM4EHPGDLMNATP53
SCHEMBL6720311 0.75 L3MBTL1 (0.39) HTTKDM4ELMNACNR2MEN1
SCHEMBL27854528 0.74 MEN1 (0.74) HTTKDM4EHPGDLMNATP53
SCHEMBL6061578 0.71 L3MBTL1 (0.47) HTTKDM4ELMNACNR2MEN1
SCHEMBL11379590 0.71 GSK3B (0.60) KDM4ELMNASMN1; SMN2MEN1KMT2A

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 3558/4885KDM4E 1795/4885HPGD 1168/4885

“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.