SCHEMBL630088

SCHEMBL630088

C=C[C](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
TGM2 P21980 1/20 0.39
F2 P00734 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL2185852 0.79 AKT1 (0.59) AKT1TSHRALDH1A1CES1CES2
SCHEMBL23328518 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL84200 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL9422531 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL313871 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL108144 0.74 AKT1 (0.54) AKT1TSHRALDH1A1CES1CES2
SCHEMBL16619964 0.74 CES2 (0.52) AKT1TSHRCES1CES2MAPT
SCHEMBL3628129 0.74 AKT1 (0.60) AKT1TSHRALDH1A1CES1CES2
SCHEMBL4467471 0.72 AKT1 (0.52) AKT1TSHRALDH1A1CES1CES2
SCHEMBL20995401 0.72 AKT1 (0.52) AKT1TSHRALDH1A1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US claimed
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF EBETINO FRANK HALLOCK (US) 2021-12-02 US claimed
EP-3813840-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF Ebetino, Frank Hallock (US) 2021-05-05 EP claimed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US claimed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 US claimed
EP-3464307-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF Biovinc, LLC. (US) 2019-04-10 EP claimed
WO-2017210611-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC, LLC. (US) 2017-12-07 WO claimed
WO-2015100423-A2 METHODS FOR TREATING CANCER WITH GHRH AGONISTS UNIVERSITY OF MIAMI (US) 2015-07-02 WO claimed
US-20150174207-A1 METHODS FOR TREATING CANCER WITH GHRH AGONISTS UNIV MIAMI (US) 2015-06-25 US claimed
CN-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 CN claimed
US-4956367-A COGNITION ACTIVATORS, ALZHEIMER*S DISEASE U C B S.A. (BE) 1990-09-11 US claimed
EP-0183271-B1 LYSIN DERIVATIVE AND PROTEINASE INHIBITOR Okamoto, Shosuke (JP) 1990-05-16 EP claimed
EP-0183271-A2 Lysin derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1986-06-04 EP claimed
US-4558034-A Inhibitors of bacterial collagenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1985-12-10 US claimed
EP-0076557-B1 PEPTIDES AND PSEUDOPEPTIDES IN WHICH THE N TERMINUS BEARS TWO SUBSTITUENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-13 EP claimed
EP-0010661-B1 ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-09-12 EP claimed
US-4421744-A OPIATE RECEPTOR ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-20 US claimed
EP-0076557-A2 Peptides and pseudopeptides in which the N terminus bears two substituents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP claimed
US-4260762-A NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-07 US claimed
EP-0010661-A2 Isoquinoline derivatives, process for their preparation, intermediates and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-05-14 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 (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-20150174207-A1 METHODS FOR TREATING CANCER WITH GHRH AGONISTS GHSR, GHRHR, GNRHR AKT1 3542/4885TSHR 61/4885ALDH1A1 1052/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 AKT1 2297/4885TSHR 3423/4885ALDH1A1 2346/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 AKT1 2297/4885TSHR 3423/4885ALDH1A1 2346/4885
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF SOST, BPGM, PTMS AKT1 651/4885TSHR 3827/4885ALDH1A1 3694/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 AKT1 2297/4885TSHR 3423/4885ALDH1A1 2346/4885

“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.