SCHEMBL22029554

SCHEMBL22029554

COc1ccc2cc(/C=C/C#N)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
NQO2 P16083 4/20 0.49
NQO1 P15559 1/20 0.47
RELA Q04206 2/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAOB P27338 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43

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
SCHEMBL442275 0.85 KDM4E (0.57) FDPSNQO2RELACYP1A2KDM4E
SCHEMBL442274 0.85 KDM4E (0.57) FDPSNQO2RELACYP1A2KDM4E
SCHEMBL2719499 0.84 NQO1 (0.49) NQO2NQO1RELACYP1A2CYP2A6
SCHEMBL8928081 0.82 RELA (0.61) FDPSNQO2RELACYP1A2TUBB4A
SCHEMBL8928082 0.82 RELA (0.61) FDPSNQO2RELACYP1A2TUBB4A
SCHEMBL1520052 0.79 RELA (0.59) FDPSNQO2RELAKDM4ECYP3A4
SCHEMBL1520048 0.79 RELA (0.59) FDPSNQO2RELAKDM4ECYP3A4
Acrylonitrile SCHEMBL3692654 0.79 KDM4E (0.50) FDPSNQO2RELACYP1A2KDM4E
Acrylonitrile SCHEMBL3692651 0.79 KDM4E (0.50) FDPSNQO2RELACYP1A2KDM4E
SCHEMBL9494220 0.77 LMNA (0.69) NQO2RELACYP1A2CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625218-B1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-01 EP disclosed
EP-3625218-B1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-01 EP disclosed
US-10947186-B2 Process for hydrocyanation of terminal alkynes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-03-16 US disclosed
US-10947186-B2 Process for hydrocyanation of terminal alkynes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-03-16 US disclosed
US-20200181068-A1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-06-11 US disclosed
US-20200181068-A1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-06-11 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-20200181068-A1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES ALKBH3, ALKBH2, ALKBH5 FDPS 3081/4885NQO2 902/4885NQO1 1553/4885
US-10947186-B2 Process for hydrocyanation of terminal alkynes ALKBH3, ALKBH2, ALKBH5 FDPS 3081/4885NQO2 902/4885NQO1 1553/4885

“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.