SCHEMBL2242869

SCHEMBL2242869

c1ccc2cc(-n3cccc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 5/20 0.47
HTR3A P46098 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR5A P47898 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 1/20 0.45
MAPK9 P45984 2/20 0.42
MAPK10 P53779 2/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL30711585 1.00 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL14799877 0.93 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL26259748 0.93 MAPT (0.50) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL26259867 0.90 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL12841357 0.77 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL27936196 0.76 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
SCHEMBL2071832 0.76 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2MAPTCYP3A4
SCHEMBL27729924 0.76 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2MAPTMAPK9
SCHEMBL15022221 0.76 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL28871084 0.75 MAPT (0.43) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT

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-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
CN-108863890-A A kind of 4- pyrroline-2-one derivative and preparation method thereof 厦门华厦学院 2018-11-23 CN disclosed
US-20180215952-A1 POLISHING COMPOSITION FUJIMI INCORPORATED (JP) 2018-08-02 US disclosed
CN-106661432-A Polishing composition 福吉米株式会社 2017-05-10 CN disclosed
US-20130225776-A1 NOVEL HETEROCYCLIC AROMATIC COMPOUND AND POLYMER NAGASE CHEMTEX CORPORATION (JP) 2013-08-29 US disclosed
US-20120208978-A1 NOVEL HETEROCYCLIC AROMATIC COMPOUND AND POLYMER NAGASE CHEMTEX CORPORATION (JP) 2012-08-16 US disclosed
US-20110190461-A1 NOVEL HETEROCYCLIC AROMATIC COMPOUND AND POLYMER NAGASE CHEMTEX CORPORATION (JP) 2011-08-04 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 (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-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 CYP19A1 1012/4885CYP11B1 3382/4885CYP11B2 3279/4885
US-20110190461-A1 NOVEL HETEROCYCLIC AROMATIC COMPOUND AND POLYMER PAH, AHR, KCNH3 CYP19A1 393/4885CYP11B1 424/4885CYP11B2 297/4885

“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.