SCHEMBL16077672

SCHEMBL16077672

CCC1(COC(=O)c2ccc(OC)cc2)COC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR2 Q92731 1/20 0.47
PRKCA P17252 2/20 0.46
PRKCE Q02156 1/20 0.46
RASGRP3 Q8IV61 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL686318 0.93 TSHR (0.50) TSHRAPOBEC3AAPOBEC3GCA1CA2
SCHEMBL14839401 0.91 TSHR (0.47) TSHRAPOBEC3AAPOBEC3GCA1CA2
SCHEMBL14839354 0.88 TSHR (0.47) TSHRCA1CA2ESR2PRKCA
SCHEMBL19753230 0.88 KMT2A (0.46) TSHRAPOBEC3AAPOBEC3GPRKCAPRKCE
SCHEMBL15799989 0.87 ESR1 (0.54) TSHRCA1CA2ESR2CYP2C19
SCHEMBL16119470 0.87 MAPT (0.47) TSHRCA1CA2ESR2POLB
SCHEMBL12959101 0.87 RAB9A (0.47) TSHRCA1CA2ESR2PRKCA
SCHEMBL17465564 0.86 POLB (0.46) TSHRCA1CA2ESR2POLB
SCHEMBL9215046 0.86 TSHR (0.45) TSHRCA1CA2ESR2POLB
SCHEMBL14491810 0.86 TSHR (0.48) TSHRAPOBEC3AAPOBEC3GCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11542268-B2 Cationically curable compositions with latent reducing agent demonstrating low cure temperature CHIT1, SGMS2, LTA TSHR 4804/4885APOBEC3A 1322/4885APOBEC3G 1252/4885
US-20210107915-A1 CATIONICALLY CURABLE COMPOSITIONS WITH LATENT REDUCING AGENT DEMONSTRATING LOW CURE TEMPERATURE CHIT1, SGMS2, LTA TSHR 4804/4885APOBEC3A 1322/4885APOBEC3G 1252/4885

“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.