SCHEMBL14885064

SCHEMBL14885064

C#CCN(C#C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.44
▸ ALDH2 P05091 1/20 0.44
▸ MEP1B Q16820 1/20 0.44
▸ LIMK1 P53667 1/20 0.41
▸ LIMK2 P53671 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TAS2R14 Q9NYV8 5/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL10033801 0.80 PYCR1 (0.79) PYCR1ALDH1A1TSHRACHEUSP2
SCHEMBL4141280 0.72 ALDH1A1 (0.54) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL10126418 0.72 CA1 (0.51) PYCR1ALDH1A1TSHRTP53KMT2A
SCHEMBL3239026 0.70 ALDH1A1 (0.56) ALDH1A1ALDH2MEP1BTSHRTP53
SCHEMBL31747387 0.69 ALDH1A1 (0.50) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL17758158 0.69 ALDH1A1 (0.56) ALDH1A1
SCHEMBL24835255 0.69 CA12 (0.48) PYCR1ALDH1A1ALDH2ACHEKMT2A
SCHEMBL65825 0.69 ALDH1A1 (0.59) ALDH1A1ALDH2MEP1BTSHRTP53
Terephthalic Acid SCHEMBL3806690 0.68 ALDH1A1 (0.58) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL11809995 0.67 MEP1B (0.61) ALDH1A1MEP1BTSHRTAS2R14KMT2A

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-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-04-25 — — 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-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 PYCR1 4168/4885ALDH1A1 4674/4885ALDH2 4437/4885

“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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