SCHEMBL5375326

SCHEMBL5375326

CC1(COC(=O)c2ccccc2)COC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F2 P00734 1/20 0.41
PRKCA P17252 1/20 0.41

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
SCHEMBL14839397 0.92 ESR1 (0.42) LMNATDP1TSHRMAPK1SLC6A2
SCHEMBL25439968 0.89 MAPT (0.45) LMNATDP1TSHRMAPK1SLC6A2
SCHEMBL14839374 0.89 L3MBTL1 (0.41) LMNATDP1TSHRMAPK1ALDH1A1
SCHEMBL27980364 0.87 CYP2C9 (0.39) LMNATDP1KMT2ANPC1RAB9A
SCHEMBL26330111 0.86 NPC1 (0.49) TDP1TSHRMAPK1KMT2AALDH1A1
SCHEMBL26328801 0.86 RAB9A (0.49) TDP1MAPK1KMT2AALDH1A1ADRB2
SCHEMBL26328803 0.86 MAPK1 (0.38) LMNATDP1TSHRMAPK1SLC6A2
SCHEMBL25439789 0.84 POLB (0.48) LMNAHIF1AKMT2AALDH1A1NPC1
SCHEMBL25439927 0.84 KDM4E (0.47) LMNATSHRMAPK1KMT2AALDH1A1
SCHEMBL28638461 0.84 L3MBTL1 (0.52) LMNATDP1TSHRALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11485987-B2 Methods for inducing bioorthogonal reactivity UNIVERSITY OF DELAWARE (US) 2022-11-01 US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 US disclosed
US-8753795-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-17 US disclosed
US-8753795-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-17 US disclosed
EP-1712551-B1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2012-11-21 EP disclosed
US-20120251945-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120251945-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions INTERNATION FLAVORS & FRAGRANCES INC. 2007-11-15 US disclosed
US-7265231-B2 3-methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-04 US disclosed
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-10-19 US disclosed
EP-1712551-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-18 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 (5 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-20120251945-A1 PHOTORESIST COMPOSITION H1-0, COL1A1, REV1 LMNA 1347/4885TDP1 310/4885TSHR 2932/4885
US-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions PNMT, CYP51A1, MSMO1 LMNA 3820/4885TDP1 2461/4885TSHR 4747/4885
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions PNMT, CYP51A1, MSMO1 LMNA 3820/4885TDP1 2461/4885TSHR 4747/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 LMNA 3980/4885TDP1 1963/4885TSHR 1185/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 LMNA 3980/4885TDP1 1963/4885TSHR 1185/4885

“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.