SCHEMBL176317

SCHEMBL176317

O=C(O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL5590178 0.85 TSHR (0.31) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL34317 0.79 CA1 (0.36) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL516304 0.79 CA1 (0.36) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL8800537 0.78 TSHR (0.32) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL5588806 0.78 IMPDH2 (0.33)
SCHEMBL5586774 0.78 IMPDH2 (0.33)
SCHEMBL5697079 0.77 CA1 (0.31) CA1CA2CA9
SCHEMBL18697361 0.77 CA1 (0.35) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL16814869 0.77 CA1 (0.35) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL570928 0.77 PREP (0.39) CA1CA2CA9TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619038-A2 ANIONICALLY FUNCTIONALIZED POLYPEPTIDES, AND METHODS OF MAKING SAME AND USES THEREOF Cornell University (US) 2025-09-24 EP claimed
CN-119674227-A Quick-charging electrolyte, lithium ion battery, and preparation method and application of quick-charging electrolyte and lithium ion battery 中国科学院大连化学物理研究所 2025-03-21 CN claimed
WO-2024107780-A2 ANIONICALLY FUNCTIONALIZED POLYPEPTIDES, AND METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2024-05-23 WO claimed
CN-116655585-A Poly (epsilon-caprolactone-epsilon-caprolactam) with controllable main chain sequence and preparation method and application thereof 中国科学院化学研究所 2023-08-29 CN claimed
CN-116159445-A Polyamide composite membrane and preparation method and application thereof 万华化学集团股份有限公司 2023-05-26 CN claimed
US-10611792-B2 Functionalized bile acids for therapeutic and material applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-04-07 US claimed
US-20190211051-A1 FUNCTIONALIZED BILE ACIDS FOR THERAPEUTIC AND MATERIAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-07-11 US claimed
US-20190153019-A1 FUNCTIONALIZED BILE ACIDS FOR THERAPEUTIC AND MATERIAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-05-23 US claimed
US-10294265-B1 Functionalized bile acids for therapeutic and material applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-05-21 US claimed
EP-2802556-B1 LIPOPOLYAMINES OF SPERMINE TYPE FOR CONSTRUCTION OF LIPOSOMAL TRANSFECTION SYSTEMS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2017-01-04 EP claimed
EP-2802556-A1 LIPOPOLYAMINES OF SPERMINE TYPE FOR CONSTRUCTION OF LIPOSOMAL TRANSFECTION SYSTEMS Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2014-11-19 EP claimed
WO-2013104346-A1 LIPOPOLYAMINES OF SPERMINE TYPE FOR CONSTRUCTION OF LIPOSOMAL TRANSFECTION SYSTEMS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2013-07-18 WO claimed
US-8410290-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-04-02 US claimed
US-8389746-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-05 US claimed
US-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-10-04 US claimed
US-20120245304-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-09-27 US claimed
US-8207351-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-26 US claimed
WO-2011135046-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT PENTAFLUOROPHENYL CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-11-03 WO claimed
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2011-11-03 US claimed
EP-1498978-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME UBE INDUSTRIES (JP) 2010-09-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10611792-B2 Functionalized bile acids for therapeutic and material applications NR1H4, SLC10A2, GPBAR1 CA1 150/4885CA2 1584/4885CA9 63/4885
US-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA CA1 133/4885CA2 90/4885CA9 303/4885
US-20190211051-A1 FUNCTIONALIZED BILE ACIDS FOR THERAPEUTIC AND MATERIAL APPLICATIONS NR1H4, SLC10A2, GPBAR1 CA1 150/4885CA2 1584/4885CA9 63/4885
US-20190153019-A1 FUNCTIONALIZED BILE ACIDS FOR THERAPEUTIC AND MATERIAL APPLICATIONS NR1H4, SLC10A2, GPBAR1 CA1 150/4885CA2 1584/4885CA9 63/4885
US-10294265-B1 Functionalized bile acids for therapeutic and material applications NR1H4, SLC10A2, GPBAR1 CA1 150/4885CA2 1584/4885CA9 63/4885
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA CA1 133/4885CA2 90/4885CA9 303/4885

“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.