SCHEMBL433370

SCHEMBL433370

CC(C)=CCNCC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
NOS1 P29475 1/20 0.31
GGPS1 O95749 1/20 0.31
FDFT1 P37268 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
UGT1A1 P22309 1/20 0.31

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
SCHEMBL11152268 0.86
SCHEMBL1421039 0.84
Hydrochloric Acid SCHEMBL27756600 0.84 TSHR (0.33) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL22575344 0.82
SCHEMBL4186990 0.82
Hydrochloric Acid SCHEMBL28954123 0.82 TSHR (0.32) ALDH1A1ALOX15TSHR
SCHEMBL2172460 0.80
SCHEMBL10045070 0.80 KDM1A (0.42) KMT2AALDH1A1MEN1TSHRGGPS1
Acetic Acid SCHEMBL31425205 0.78 SMN1; SMN2 (0.34) KMT2AALDH1A1TSHRMAPT
SCHEMBL24627771 0.78

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212818-A1 DYES FOR MONITORING CELL STATES Sunnybrook Research Institute (CA) 2023-11-09 WO disclosed
US-20140370279-A1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE NOVEL POLYMER SOLUTIONS LIMITED (GB) 2014-12-18 US disclosed
US-20140370279-A1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE NOVEL POLYMER SOLUTIONS LIMITED (GB) 2014-12-18 US disclosed
EP-2601047-B1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE SYNTOR FINE CHEMICALS LTD (GB) 2014-11-26 EP disclosed
EP-2601047-B1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE SYNTOR FINE CHEMICALS LTD (GB) 2014-11-26 EP disclosed
US-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-8580990-B2 Gold catalyzed hydroamination of alkynes and allenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
EP-2601047-A1 METHODS OF COATING A LOW SURFACE ENERGY SUBSTRATE Novel Polymer Solutions Limited (GB) 2013-06-12 EP disclosed
EP-2046840-B9 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND NOVEL POLYMER SOLUTIONS LTD (GB) 2013-04-24 EP disclosed
EP-2046840-B9 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND NOVEL POLYMER SOLUTIONS LTD (GB) 2013-04-24 EP disclosed
US-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 US disclosed
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 US disclosed
US-7750062-B2 Method of producing a polymeric material, polymer, monomeric compound and method of preparing a monomeric compound NOVEL POLYMER SOLUTIONS LIMITED (GB) 2010-07-06 US disclosed
US-7750062-B2 Method of producing a polymeric material, polymer, monomeric compound and method of preparing a monomeric compound NOVEL POLYMER SOLUTIONS LIMITED (GB) 2010-07-06 US disclosed
WO-2009137810-A2 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 WO disclosed
WO-2009137810-A2 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 WO disclosed
US-20090156706-A1 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND SUBLINO LIMITED (GB) 2009-06-18 US disclosed
EP-2046840-A1 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND Novel Polymer Solutions Ltd. (GB) 2009-04-15 EP disclosed
WO-2008001102-A1 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND NOVEL POLYMER SOLUTIONS LIMITED (GB) 2008-01-03 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 (3 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-20090156706-A1 METHOD OF PRODUCING A POLYMERIC MATERIAL, POLYMER, MONOMERIC COMPOUND AND METHOD OF PREPARING A MONOMERIC COMPOUND CCR9, CBR3, CRKL KMT2A 3429/4885ALDH1A1 4533/4885ALOX15 3045/4885
US-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL PTMA, TMT1A, MGMT KMT2A 2036/4885ALDH1A1 32/4885ALOX15 965/4885
US-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES AOC3, AOC2, AOC1 KMT2A 984/4885ALDH1A1 202/4885ALOX15 969/4885

“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.