SCHEMBL3059701

SCHEMBL3059701

OCCCCC#Cc1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.71
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CHRNB2 P17787 7/20 0.43
▸ CHRNA3 P32297 5/20 0.43
▸ CHRNA2 Q15822 4/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ ACACB O00763 1/20 0.43
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGFR P00533 1/20 0.37

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
SCHEMBL8907669 0.90 ALDH1A1 (0.77) ALDH1A1CYP1A2KDM4EACACBPDGFRB
SCHEMBL13356421 0.87 ALDH1A1 (0.64) ALDH1A1CYP1A2CHRNB2CHRNA3CHRNA2
SCHEMBL12603967 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2MAPTCHRNB2CHRNA3
SCHEMBL372200 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2KDM4EACACBPDGFRB
SCHEMBL8425911 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2KDM4ECYP3A4MAPT
SCHEMBL23781564 0.77 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10162702 0.77 ALDH1A1 (0.71) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL12603955 0.76 ALDH1A1 (0.64) ALDH1A1CYP1A2KDM4EACACBPDGFRB
SCHEMBL10130641 0.74 ALDH1A1 (0.66) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL6881031 0.74 ALDH1A1 (0.66) ALDH1A1CYP1A2KDM4EACACBPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP claimed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US claimed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US claimed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 — — EP claimed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — WO claimed
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP disclosed
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 — — EP disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — WO disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — WO disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 — — 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC ALDH1A1 753/4885CYP1A2 286/4885KDM4E 2106/4885

“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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