SCHEMBL3134013

SCHEMBL3134013

c1ccc(C2CCOO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
MAOB P27338 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL11343825 0.88 TSHR (0.33) TSHRSLC6A2SLC6A3SLC6A4
SCHEMBL320574 0.87 TSHR (0.46) TSHRSLC6A2SLC6A3SLC6A4MAOB
SCHEMBL28469171 0.85 TSHR (0.45) TSHRSLC6A2SLC6A3SLC6A4MAOB
SCHEMBL29844948 0.85 TSHR (0.45) TSHRSLC6A2SLC6A3SLC6A4SLC18A3
SCHEMBL29503026 0.85 TSHR (0.45) TSHRSLC6A2SLC6A3SLC6A4MAOB
Hydrochloric Acid SCHEMBL28154421 0.84 TSHR (0.43) TSHRSLC6A2SLC6A3SLC6A4SMN1; SMN2
Hexane SCHEMBL28169137 0.77 TSHR (0.37) TSHRSLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL27903480 0.77 CYP2A6 (0.51) ALDH1A1CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL5162162 0.73 TSHR (0.64) TSHRSLC6A2SLC6A3SLC6A4MAOB
SCHEMBL1195857 0.73 TSHR (0.64) TSHRSLC6A2SLC6A3SLC6A4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US claimed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 US claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
CN-116462654-B Preparation method of cyclic ethylene carbonate compound 上海如鲲新材料股份有限公司 2025-06-10 CN disclosed
CN-116462654-A Preparation method of cyclic ethylene carbonate compound 上海如鲲新材料股份有限公司 2023-07-21 CN disclosed
CN-114981270-A MLL1 inhibitors and anticancer agents 诺华公司 2022-08-30 CN disclosed
CN-114929705-A MLL1 inhibitor and anticancer agent 诺华公司 2022-08-19 CN disclosed
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US disclosed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 US disclosed
CN-108699106-A Novel trifluoromethyl propanamide derivative as HTRA1 inhibitor 豪夫迈·罗氏有限公司 2018-10-23 CN disclosed
US-8754175-B2 Monocapped conductive polymers with alkenyl or alkynyl end groups and block copolymers therefrom CARNEGIE MELLON UNIVERSITY (US) 2014-06-17 US disclosed
US-5317050-A Hydrolyzable aryl pohosphite for hardening phenolic resins, furfuryl alcohol accelerater BORDEN, INC. (US) 1994-05-31 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
EP-0589039-A1 TRIPHENYLETHYLENE DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-03-30 EP disclosed
US-5296520-A Phenolic resin with aryl phosphite, increasing acidity and hydrolysis of phosphite BORDEN, INC. (US) 1994-03-22 US disclosed
US-5272140-A 11-aryl steroid derivatives AKZO N.V. (NL) 1993-12-21 US disclosed
EP-0277676-B1 NEW LL-ARYL STEROID DERIVATIVES AKZO N.V. (NL) 1992-03-04 EP disclosed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
EP-0277676-A1 New ll-aryl steroid derivatives AKZO N.V. (NL) 1988-08-10 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 (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-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI TSHR 14/4885SLC6A2 1529/4885SLC6A3 632/4885
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, FANCF, FANCI TSHR 14/4885SLC6A2 1529/4885SLC6A3 632/4885

“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.