SCHEMBL16871130

SCHEMBL16871130

C=CCC(O)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.37

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
SCHEMBL16871195 0.87 KCNA5 (0.43) CASRL3MBTL1TP53ALDH1A1HTT
SCHEMBL16871004 0.83 CASR (0.43) CASRMEN1MAPTKMT2ASLC13A5
SCHEMBL16871347 0.81 MAPT (0.47) CASRL3MBTL1TP53ALDH1A1HTT
SCHEMBL16871050 0.81 CASR (0.45) CASRL3MBTL1TP53ALDH1A1HTT
SCHEMBL16871360 0.80 CASR (0.48) CASRL3MBTL1
SCHEMBL29033640 0.77 CASR (0.46) CASRTP53ALDH1A1HTTMEN1
SCHEMBL29033625 0.77 CASR (0.43) CASRL3MBTL1TP53ALDH1A1HTT
SCHEMBL3640747 0.75 CASR (0.45) CASRL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL1985443 0.75 ALDH1A1 (0.57) ALDH1A1HTTMEN1LMNAMAPT
SCHEMBL29033642 0.74 CASR (0.46) CASRTP53ALDH1A1HTTMEN1

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-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — US disclosed
US-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — 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-20150183772-A1 ALKYLATION OF AZOLES AKR1C3, DCXR, AKR1C2 CASR 3720/4885L3MBTL1 3925/4885TP53 2600/4885

“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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