SCHEMBL22149607

SCHEMBL22149607

COc1cc2cc(OC)c(C#N)cc2cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
AR P10275 14/20 0.50
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
PGR P06401 1/20 0.46
STING1 Q86WV6 1/20 0.44
HTR2A P28223 1/20 0.41

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
SCHEMBL12147466 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL12147725 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL2761994 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL10822944 0.87 AR (0.57) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL19313480 0.87 AR (0.53) ALDH1A1KDM4EUSP2AR
SCHEMBL5695734 0.85 AR (0.47) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL15298755 0.85 AR (0.59) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL24101484 0.84 ESR1 (0.49) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL1343373 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL5695670 0.79 KDM4E (0.55) ALDH1A1KDM4ESTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912646-B2 Transmembrane pores formed by aromatic oligoamide foldamers and uses of same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-02-27 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20220380301-A9 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2022-12-01 US disclosed
US-20210355078-A1 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME UNIV NEW YORK STATE RES FOUND (US) 2021-11-18 US disclosed
US-11072578-B2 Transmembrane pores formed by aromatic oligoamide foldamers and uses of same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-07-27 US disclosed
US-20200199066-A1 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-06-25 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 (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-20210355078-A1 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME AQP1, STOM, SLC22A8 ALDH1A1 4354/4885KDM4E 4558/4885USP2 2848/4885
US-11912646-B2 Transmembrane pores formed by aromatic oligoamide foldamers and uses of same AQP1, STOM, SLC22A8 ALDH1A1 4354/4885KDM4E 4558/4885USP2 2848/4885
US-11072578-B2 Transmembrane pores formed by aromatic oligoamide foldamers and uses of same AQP1, STOM, SLC22A8 ALDH1A1 4354/4885KDM4E 4558/4885USP2 2848/4885
US-20200199066-A1 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME AQP1, STOM, SLC22A8 ALDH1A1 4354/4885KDM4E 4558/4885USP2 2848/4885
US-20220380301-A9 TRANSMEMBRANE PORES FORMED BY AROMATIC OLIGOAMIDE FOLDAMERS AND USES OF SAME AQP1, STOM, SLC22A8 ALDH1A1 4354/4885KDM4E 4558/4885USP2 2848/4885
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 ALDH1A1 2125/4885KDM4E 1663/4885USP2 872/4885

“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.