SCHEMBL19943326

SCHEMBL19943326

C#C/C=C\C(=C/C)N(C)C(=O)N(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL20385057 0.85 FAAH (0.38) POLBKMT2AKDM4ESMN1; SMN2CHRNB2
SCHEMBL19696746 0.83 KMT2A (0.39) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL22068900 0.72 ALDH1A1 (0.35) KMT2AKDM4ENPSR1ALDH1A1MAPT
SCHEMBL16492448 0.71 FAAH (0.36) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL320116 0.70 POLB (0.59) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL19866402 0.69 MAPT (0.33) KDM4ENPSR1ALDH1A1MAPT
SCHEMBL14134508 0.68 POLB (0.57) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL14134390 0.68 POLB (0.57) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL14134499 0.68 POLB (0.57) POLBKMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL28476383 0.67 POLB (0.52) POLBKMT2AKDM4ESMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618880-B2 Methods of producing alkylfurans MICROMIDAS, INC. (US) 2020-04-14 — — US disclosed
US-10414742-B2 Methods of producing alkylfurans MICROMIDAS, INC. (US) 2019-09-17 — — US disclosed
US-20180065944-A1 METHODS OF PRODUCING ALKYLFURANS MICROMIDAS, INC. (US) 2018-03-08 — — 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 (3 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-20180065944-A1 METHODS OF PRODUCING ALKYLFURANS MGMT, DHPS, DHFR POLB 2064/4885KMT2A 938/4885KDM4E 417/4885
US-10414742-B2 Methods of producing alkylfurans MGMT, DHPS, DHFR POLB 2064/4885KMT2A 938/4885KDM4E 417/4885
US-10618880-B2 Methods of producing alkylfurans MGMT, DHPS, DHFR POLB 2064/4885KMT2A 938/4885KDM4E 417/4885

“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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