SCHEMBL16807888

SCHEMBL16807888

O=C1CCCc2cccc(C(=Cc3ccccc3)c3ccccc3)c21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ESR1 P03372 1/20 0.37
MAPT P10636 1/20 0.37
MIF P14174 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
ATM Q13315 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1C1 Q04828 1/20 0.34
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
F3 P13726 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
SCHEMBL3075146 0.75 L3MBTL1 (0.44) MEN1KMT2AALDH1A1HTTCYP2A6
SCHEMBL4612464 0.72 ESR1 (0.59) MEN1KMT2AALDH1A1HTTESR1
SCHEMBL4612461 0.72 ESR1 (0.59) MEN1KMT2AALDH1A1HTTESR1
SCHEMBL30853842 0.70 AURKA (0.53) ALDH1A1HTTCYP2A6MAOAMAOB
SCHEMBL13508393 0.68 MEN1 (0.38) MEN1KMT2AALDH1A1ESR1MAPT
SCHEMBL780794 0.68 HTR7 (0.45) MEN1KMT2AMAOAMAOBESR1
SCHEMBL5945849 0.67 ESR1 (0.53) MEN1KMT2AALDH1A1ESR1CYP19A1
SCHEMBL3075856 0.67 TSHR (0.42) MEN1KMT2AALDH1A1HTTCYP2A6
SCHEMBL55433 0.66 ESR1 (0.74) MEN1KMT2AALDH1A1HTTESR1
Benzene SCHEMBL27868814 0.66 ESR1 (0.74) MEN1KMT2AALDH1A1HTTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149800-B2 Method for producing ruthenium catalyst and method for producing alkyl group—or alkenyl group-substituted compound using ruthenium catalyst KYOTO UNIVERSITY (JP) 2015-10-06 US disclosed
US-9149800-B2 Method for producing ruthenium catalyst and method for producing alkyl group—or alkenyl group-substituted compound using ruthenium catalyst KYOTO UNIVERSITY (JP) 2015-10-06 US disclosed
US-20150165433-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST KYOTO UNIVERSITY (JP) 2015-06-18 US disclosed
US-20150165433-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST KYOTO UNIVERSITY (JP) 2015-06-18 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-20150165433-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST ADH5, ADH1A, ADH1C MEN1 3085/4885KMT2A 2086/4885ALDH1A1 14/4885

“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.