SCHEMBL305095

SCHEMBL305095

[CH2]CCCCCCCCCCCCCCCCCc1cccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
GPR84 Q9NQS5 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
MTNR1B P49286 4/20 0.35

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
SCHEMBL304212 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL303755 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL303612 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL302975 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL302753 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL304683 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL305108 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL302418 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL303881 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1
SCHEMBL303026 1.00 MTNR1A (0.38) MTNR1AGPR84SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1577280-A1 METHOD OF DEUTERIZATION Wako Pure Chemical Industries, Ltd. (JP) 2005-09-21 EP disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP 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 (4 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 MTNR1A 4096/4885GPR84 2125/4885SIGMAR1 1946/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 MTNR1A 3388/4885GPR84 2786/4885SIGMAR1 2928/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR MTNR1A 4273/4885GPR84 2376/4885SIGMAR1 3227/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A MTNR1A 3692/4885GPR84 3414/4885SIGMAR1 1722/4885

“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.