SCHEMBL13623959

SCHEMBL13623959

CCOP(=O)(Cc1c(F)cccc1F)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KCNH2 Q12809 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
ACHE P22303 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13634258 0.81 CCNT1 (0.38) ALDH1A1KDM4ENPSR1KCNH2
SCHEMBL577888 0.77 TSHR (0.40) ALDH1A1KDM4ENPSR1KCNH2HPGD
SCHEMBL23119310 0.69 STIM1 (0.37) ALDH1A1KDM4EKCNH2LMNAMEN1
SCHEMBL577670 0.66 MEN1 (0.42) ALDH1A1KDM4ENPSR1KCNH2HPGD
SCHEMBL18650115 0.65 TP53 (0.41) TSHRTDP1
SCHEMBL5795783 0.64 RIPK1 (0.38) ALDH1A1KDM4ENPSR1KCNH2HPGD
SCHEMBL578080 0.63 SMN1; SMN2 (0.57) GAAPOLBSMN1; SMN2
SCHEMBL4538982 0.62 KCNH2 (0.43) ALDH1A1KDM4ENPSR1KCNH2HPGD
SCHEMBL4403486 0.62 KDM4E (0.39) ALDH1A1KDM4ENPSR1KCNH2TSHR
SCHEMBL29468662 0.61 AOX1 (0.38) ALDH1A1KDM4ENPSR1KCNH2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS ALDH1A1 2040/4885KDM4E 1971/4885NPSR1 4786/4885

“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.