SCHEMBL12859412

SCHEMBL12859412

Cc1ccc(-c2cc(C(C)(C)C)n(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ESRRA P11474 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 4/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL14008869 0.84 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12245379 0.84 MAPT (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12859414 0.81 ADORA3 (0.38) MAPTSMN1; SMN2NPC1RAB9AESRRA
SCHEMBL14996633 0.77 SMN1; SMN2 (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22951271 0.76 BRAF (0.33) MAPTALDH1A1NPSR1
SCHEMBL19625345 0.76 SMN1; SMN2 (0.64) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13974502 0.76 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22952404 0.75 PHGDH (0.34) MAPTPHGDHNPSR1
SCHEMBL22952438 0.75 ALDH1A1 (0.40) CYP1A2ALDH1A1
SCHEMBL22951397 0.75 LATS1 (0.37) MAPTALDH1A1HDAC1HDAC6NPSR1

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-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 — — US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 — — 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-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS MAPT 1932/4885SMN1; SMN2 2597/4885NPC1 3605/4885

“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.

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