SCHEMBL15710032

SCHEMBL15710032

C#CC(c1cc(OC)cc(OC)c1)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TACR1 P25103 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
AOC3 Q16853 1/20 0.30
CALM1 P0DP23 1/20 0.30

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
SCHEMBL15722714 0.91 TACR1 (0.35) ALDH1A1TACR1
SCHEMBL9130782 0.83 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TACR1CYP1A1
SCHEMBL14485345 0.71 SIGMAR1 (0.39) ALDH1A1TSHRMAPK1KMT2A
SCHEMBL14556102 0.68 ADRB2 (0.36) ALDH1A1TSHRMAPK1KMT2AAOC3
SCHEMBL11139589 0.68 MIF (0.38) ALDH1A1TSHRMAPK1AOC3
SCHEMBL28161507 0.66 ALDH1A1 (0.48) ALDH1A1TACR1CYP1A1CYP1B1POLB
SCHEMBL6318730 0.66 ALDH1A1 (0.46) ALDH1A1POLBAOC3
SCHEMBL6318735 0.66 ALDH1A1 (0.46) ALDH1A1POLBAOC3
SCHEMBL18782394 0.65 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP1A1CYP1B1
SCHEMBL11152331 0.65 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052863-A1 PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-02-25 US disclosed
US-9193668-B2 Process for producing an aminopropyne or enaminone AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-11-24 US disclosed
US-9193668-B2 Process for producing an aminopropyne or enaminone AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-11-24 US disclosed
US-20140142304-A1 PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 US disclosed
US-20140142304-A1 PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 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-20140142304-A1 PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE AADAT, AAAS, AADAC ALDH1A1 1020/4885TSHR 934/4885MAPK1 695/4885
US-20160052863-A1 PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE AADAT, AAAS, AADAC ALDH1A1 1020/4885TSHR 934/4885MAPK1 695/4885

“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.