SCHEMBL14584046

SCHEMBL14584046

Cn1c(C(C)(C)C)c2ccccc2c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ KIF11 P52732 4/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ERCC1 P07992 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL24188617 0.86 GPR3 (0.39) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL14614240 0.81 GPR3 (0.35) GPR3KDM4EALDH1A1TDP1CYP1A2
SCHEMBL11717860 0.77 KIF11 (0.46) GPR3ALDH1A1ALKBH5FTOKIF11
SCHEMBL13542540 0.73 GPR3 (0.52) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL28624996 0.72 GPR3 (0.50) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL18233737 0.70 GPR84 (0.34) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL24188660 0.69 MAPT (0.36) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL24188650 0.67 KDM4E (0.53) GPR3KDM4EALDH1A1MAPTKMT2A
SCHEMBL24188609 0.66 — —
SCHEMBL30849704 0.65 CYP1A2 (0.40) GPR3KDM4EALDH1A1TDP1KIF11

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-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 — — 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 (2 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR GPR3 3070/4885KDM4E 4589/4885ALDH1A1 184/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR GPR3 3070/4885KDM4E 4589/4885ALDH1A1 184/4885

“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.

Send feedback