SCHEMBL14839397

SCHEMBL14839397

CC1(COC(=O)c2ccc(C(=O)OCC3(C)COC3)cc2)COC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL26328803 0.94 MAPK1 (0.38) ESR1CA12CA1CA2CA7
SCHEMBL26328801 0.94 RAB9A (0.49) ESR1CA12CA1CA2CA7
SCHEMBL26330111 0.94 NPC1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL25439968 0.94 MAPT (0.45) ESR1CA12CA1CA2CA7
SCHEMBL25439789 0.92 POLB (0.48) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5375326 0.92 LMNA (0.49) MAPK1LMNARAB9AALDH1A1TSHR
SCHEMBL25440125 0.91 APOBEC3A (0.49) CA1CA2ESR2RAB9ASMN1; SMN2
SCHEMBL25439927 0.89 KDM4E (0.47) MAPK1LMNACYP1A2RAB9ASMN1; SMN2
SCHEMBL25439955 0.88 ADRB2 (0.49) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL25440024 0.88 ADRB2 (0.51) ALDH1A1MEN1KMT2AATMPOLB

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 10 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-11542268-B2 Cationically curable compositions with latent reducing agent demonstrating low cure temperature HENKEL AG & CO. KGAA (DE) 2023-01-03 US disclosed
US-20210107915-A1 CATIONICALLY CURABLE COMPOSITIONS WITH LATENT REDUCING AGENT DEMONSTRATING LOW CURE TEMPERATURE HENKEL AG & CO. KGAA (DE) 2021-04-15 US disclosed
WO-2020006159-A1 CATIONICALLY CURABLE COMPOSITIONS WITH LATENT REDUCING AGENT DEMONSTRATING LOW CURE TEMPERATURE Henkel IP & Holding GmbH (DE) 2020-01-02 WO disclosed
WO-2014152543-A2 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel IP & Holding GmbH (DE) 2014-09-25 WO disclosed
US-20140264165-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF HENKEL CORPORATION (US) 2014-09-18 US disclosed
US-20140264165-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF HENKEL CORPORATION (US) 2014-09-18 US disclosed
US-20140209951-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel IP & Holding GmbH (DE) 2014-07-31 US disclosed
US-20140209951-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel IP & Holding GmbH (DE) 2014-07-31 US disclosed
WO-2013049154-A2 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF HENKEL AG & CO. KGAA (DE) 2013-04-04 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ESR1 2610/4885CA12 269/4885CA1 504/4885
US-11542268-B2 Cationically curable compositions with latent reducing agent demonstrating low cure temperature CHIT1, SGMS2, LTA ESR1 3732/4885CA12 79/4885CA1 64/4885
US-20210107915-A1 CATIONICALLY CURABLE COMPOSITIONS WITH LATENT REDUCING AGENT DEMONSTRATING LOW CURE TEMPERATURE CHIT1, SGMS2, LTA ESR1 3732/4885CA12 79/4885CA1 64/4885

“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.