SCHEMBL419649

SCHEMBL419649

CCOC(=O)c1cc(F)ccc1SCCCC(=O)n1ccc2ccc(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MAOB P27338 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
GLA P06280 1/20 0.38
CA3 P07451 1/20 0.38
GAA P10253 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
OXER1 Q8TDS5 2/20 0.36
TSHR P16473 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
SCHEMBL414213 0.87 POLB (0.33) ALDH1A1LMNAMAPTTFPI2PKM
SCHEMBL418447 0.78 BIRC2 (0.41) ALDH1A1MAPTTSHRKMT2A
SCHEMBL417274 0.77 ALDH1A1 (0.46) ALDH1A1LMNAMTNR1AMTNR1BOXER1
SCHEMBL413532 0.76 MAPT (0.45) ALDH1A1KDM4EHPGDMAOBCA12
SCHEMBL417882 0.75 TSHR (0.44) ALDH1A1KDM4EHPGDCA2GLA
SCHEMBL2484791 0.74 MAPT (0.41) ALDH1A1LMNAMAPTTSHRMEN1
SCHEMBL417155 0.74 LMNA (0.42) ALDH1A1HPGDGAALMNAMAPT
SCHEMBL2486917 0.72 MAPT (0.39) ALDH1A1LMNAMAPTTSHRMEN1
SCHEMBL412584 0.71 TSHR (0.40) ALDH1A1KDM4EHPGDCA2GAA
SCHEMBL2117429 0.70 MTNR1A (0.51) ALDH1A1KDM4EHPGDMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885KDM4E 674/4885HPGD 2716/4885

“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.