SCHEMBL1781401

SCHEMBL1781401

CCC(C)C/C=C/C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1781403 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL11764963 0.86 ALDH1A1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL11764969 0.86 ALDH1A1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL3901084 0.82 TSHR (0.41) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL4201971 0.82 TSHR (0.41) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL4201966 0.82 TSHR (0.41) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL4201968 0.82 TSHR (0.41) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL11352108 0.80 KISS1R (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL11352111 0.80 KISS1R (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10729542 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119391494-A Essence light stabilizer and liquid detergent composition applied by same 广州立白科技集团有限公司 2025-02-07 CN disclosed
US-9169334-B2 Preparation of bottlebrush polymers via ring-opening metathesis polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-27 US disclosed
US-20140213732-A1 Preparation of Bottlebrush Polymers via Ring-Opening Metathesis Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2014-07-31 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CHRNB2 345/4885CHRNB4 187/4885CHRNA3 358/4885
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 CHRNB2 3685/4885CHRNB4 3665/4885CHRNA3 3933/4885

“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.