SCHEMBL16829441

SCHEMBL16829441

CC1=C(C2C=Cc3ccccc32)c2ccccc2[CH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HTR2A P28223 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL19630560 0.74 HTR2A (0.39) CYP2D6KDM4ELMNAHSD17B10HTR2A
SCHEMBL29386036 0.74 HTR2A (0.39) CYP2D6KDM4ELMNAHSD17B10HTR2A
Hydrochloric Acid SCHEMBL16394143 0.73 HTR6 (0.32) HTR6
SCHEMBL7946917 0.72 ALDH1A1 (0.36) HSD17B10TP53CYP3A4MEN1KMT2A
SCHEMBL313823 0.71 HTR6 (0.32) CYP2D6HTR2AHTR6
Hydrochloric Acid SCHEMBL30769631 0.71 HTR2A (0.36) CYP2D6KDM4ELMNAHSD17B10HTR2A
Hydrochloric Acid SCHEMBL30769837 0.71 HTR2A (0.36) CYP2D6KDM4ELMNAHSD17B10HTR2A
SCHEMBL2830663 0.71 HTR2C (0.37) CYP2D6KDM4ELMNAHSD17B10HTR2A
Hydrochloric Acid SCHEMBL30769736 0.71 HTR2A (0.36) CYP2D6KDM4ELMNAHSD17B10HTR2A
SCHEMBL2830664 0.69 PRCP (0.39) CYP2D6KDM4ELMNAHSD17B10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3755705-A1 CATALYSTS, CATALYST SYSTEMS, AND METHODS FOR USING THE SAME ExxonMobil Chemical Patents Inc. (US) 2020-12-30 EP disclosed
US-20200339712-A1 Catalysts, Catalyst Systems, and Methods for Using the Same EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-10-29 US disclosed
WO-2019160710-A1 CATALYSTS, CATALYST SYSTEMS, AND METHODS FOR USING THE SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-08-22 WO disclosed
US-9944665-B2 Bridged bis(indenyl) transitional metal complexes, production, and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-04-17 US disclosed
EP-3083649-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2016-10-26 EP disclosed
US-20150183893-A1 Bridged Bis(Indenyl) Transitional Metal Complexes, Production, and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2015-07-02 US disclosed
WO-2015095188-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-25 WO 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-20150183893-A1 Bridged Bis(Indenyl) Transitional Metal Complexes, Production, and Use Thereof XRN2, XRCC6, INTS9 CYP2D6 1806/4885KDM4E 2238/4885LMNA 339/4885

“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.