SCHEMBL17367478

SCHEMBL17367478

COc1cc(-c2sccc2C(C)=O)ccc1-c1ccc(C2(C(C)=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CHEK1 O14757 2/20 0.39
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
PDE4A P27815 1/20 0.34

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
SCHEMBL17367485 0.84 CHEK1 (0.35) ALDH1A1CHEK1PDE4AAPPCYP2C19
SCHEMBL17367474 0.82 PTGS1 (0.38) ALDH1A1MAPTHPGDAPPCYP2C19
SCHEMBL17367491 0.79 APP (0.35) CHEK1PDE4DAPPCYP2C19CYP2C9
SCHEMBL17367488 0.78 CHEK1 (0.35) CHEK1PDE4APDE4DAPPCYP2C19
SCHEMBL17367467 0.77 ITGA4 (0.39) ALDH1A1MAPTAPPCYP2C19CYP2C9
SCHEMBL17367469 0.77 AVPR2 (0.42) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL17226295 0.74 APP (0.41) ALDH1A1APPCYP2C19CYP2C9CYP3A4
SCHEMBL17367477 0.73 PTGS1 (0.32) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL17367476 0.72 MAPT (0.35) ALDH1A1MAPTAPPCYP2C19CYP2C9
SCHEMBL17367475 0.72 PTK2 (0.40) ALDH1A1MAPTAPPCYP2C19CYP2C9

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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 ALDH1A1 1997/4885MAPT 4787/4885HPGD 3570/4885

“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.