SCHEMBL12411241

SCHEMBL12411241

C/C=C(\CCC)N(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ FAAH O00519 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36

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
SCHEMBL20414287 0.84 FAAH (0.44) FAAHPHGDHMGLLCA12CA1
SCHEMBL20414319 0.76 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL20414290 0.76 FAAH (0.40) TP53FAAHPHGDHMGLLCA12
SCHEMBL3399855 0.74 TP53 (0.65) TP53LMNAALDH1A1TSHRGLA
SCHEMBL12411240 0.73 FAAH (0.41) FAAHPHGDHMGLLCA12CA1
SCHEMBL24426151 0.70 TP53 (0.39) TP53FAAHPHGDHMGLLCA12
SCHEMBL11145953 0.70 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL12411239 0.69 KMT2A (0.51) FAAHPHGDHMGLLCA12CA1
SCHEMBL20414312 0.69 KMT2A (0.51) FAAHPHGDHMGLLCA12CA1
SCHEMBL22665374 0.69 ALDH1A1 (0.50) TP53L3MBTL1ALDH1A1TSHRGLA

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-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 — — US disclosed
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 — — 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-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES AOC3, AOC2, AOC1 TP53 2478/4885FAAH 856/4885PHGDH 2019/4885

“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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