SCHEMBL10001242

SCHEMBL10001242

C[n+]1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.80
▸ RAB9A P51151 5/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ HPGD P15428 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ MAPT P10636 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ ALPG P10696 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ HDAC8 Q9BY41 2/20 0.62
▸ GLA P06280 1/20 0.59
▸ APOBEC3A P31941 1/20 0.59
▸ APOBEC3G Q9HC16 1/20 0.59

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
SCHEMBL12519753 1.00 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL3318878 0.89 CHAT (1.00) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL9777568 0.89 CHAT (1.00) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364526 0.87 CHAT (0.64) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364525 0.87 CHAT (0.64) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL19766254 0.86 CHAT (0.62) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL16800098 0.86 CHAT (0.62) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL13208385 0.85 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12125135 0.85 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL300426 0.85 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697715-B2 Cucurbituril-based hydrogels SCHERMAN OREN (GB) 2023-07-11 — — US disclosed
US-20200157294-A1 STABLE WATER-BASED POLYMER EMULSIONS AND FIBER MODIFICATIONS FOR ENHANCED FIBER WETTING AND IMPREGNATION BASED ON CB[8] GUEST-HOST TECHNOLOGY SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-05-21 — — US disclosed
EP-2736962-B1 SUPRAMOLECULAR CAPSULES CAMBRIDGE ENTPR LTD (GB) 2019-09-04 — — EP disclosed
WO-2018069516-A1 CUCURBITURIL-BASED HYDROGELS CAMBRIDGE ENTERPRISE LIMITED (GB/GB) (GB) 2018-04-19 — — WO disclosed
US-20170211023-A1 SUPRAMOLECULAR CAPSULES AQDOT LTD (GB) 2017-07-27 — — US disclosed
US-20170028374-A1 SUPRAMOLECULAR CAPSULES CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-02-02 — — US disclosed
US-9439868-B2 Supramolecular capsules CAMBRIDGE ENTERPRISE LIMITED (GB) 2016-09-13 — — US disclosed
EP-2222757-B1 SUPRAMOLECULAR HANDCUFFS IN POLYMERIC ARCHITECTURE CAMBRIDGE ENTPR LTD (GB) 2016-09-07 — — EP disclosed
US-20150368407-A1 NESTED SUPRAMOLECULAR CAPSULES CAMBRIDGE ENTERPRISE LIMITED (GB) 2015-12-24 — — US disclosed
US-20150110772-A1 CUCURBITURIL-BASED HYDROGELS CAMBRIDGE ENTERPRISE LIMITED (GB) 2015-04-23 — — US disclosed
US-8757264-B2 Viscous wellbore fluids SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2014-06-24 — — US disclosed
US-20140170214-A1 SUPRAMOLECULAR CAPSULES CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-06-19 — — US disclosed
US-20140113382-A1 PLASMONIC JUNCTIONS FOR SURFACE-ENHANCED SPECTROSCOPY CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-04-24 — — US disclosed
US-8378059-B2 Supramolecular handcuffs in polymeric architecture CAMBRIDGE ENTERPRISE LTD. (GB) 2013-02-19 — — US disclosed
WO-2012175900-A1 PLASMONIC JUNCTIONS FOR SURFACE-ENHANCED SPECTROSCOPY CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-12-27 — — WO disclosed
US-20120103615-A1 VISCOUS WELLBORE FLUIDS SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2012-05-03 — — US disclosed
US-20100247477-A1 SUPRAMOLECULAR HANDCUFFS IN POLYMERIC ARCHITECTURE CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-09-30 — — US disclosed
WO-2009071899-A2 SUPRAMOLECULAR HANDCUFFS IN POLYMERIC ARCHITECTURE CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-06-11 — — 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 (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-20100247477-A1 SUPRAMOLECULAR HANDCUFFS IN POLYMERIC ARCHITECTURE CCR8, BIRC8, CBX8 CHAT 2733/4885RAB9A 3662/4885ALDH1A1 2358/4885
US-20140170214-A1 SUPRAMOLECULAR CAPSULES TBCB, NOD2, ICOSLG CHAT 1947/4885RAB9A 3299/4885ALDH1A1 3273/4885
US-20150110772-A1 CUCURBITURIL-BASED HYDROGELS JAK1, SHH, NOD2 CHAT 3125/4885RAB9A 3409/4885ALDH1A1 1903/4885
US-11697715-B2 Cucurbituril-based hydrogels SMARCA5, CMBL, MGLL CHAT 1956/4885RAB9A 4450/4885ALDH1A1 2145/4885
US-20170028374-A1 SUPRAMOLECULAR CAPSULES TBCB, NOD2, ICOSLG CHAT 1947/4885RAB9A 3299/4885ALDH1A1 3273/4885

“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.

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