SCHEMBL219736

SCHEMBL219736

CC[C](c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CES1 P23141 7/20 0.52
CES2 O00748 6/20 0.52
ESR1 P03372 2/20 0.45
CYP19A1 P11511 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL27343182 0.97 ATM (0.52) ATMCES1CES2ESR1CYP19A1
SCHEMBL9576012 0.88 CES2 (0.56) ATMCES1CES2ESR1CYP19A1
SCHEMBL8938040 0.88 SMN1; SMN2 (0.61) ATMCES1CES2ESR1CYP19A1
SCHEMBL6981701 0.86 ATM (0.43) ATMCES1CES2ESR1CYP19A1
SCHEMBL28794417 0.86 TSHR (0.61) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL11715994 0.86 CES2 (0.54) ATMCES1CES2ESR1CYP19A1
SCHEMBL27923092 0.82 LOXL2 (0.50) ATMCES1CES2ESR1CYP19A1
SCHEMBL3949381 0.79 ATM (0.47) ATMCES1CES2ESR1CYP19A1
SCHEMBL392449 0.78 CES2 (0.56) ATMCES1CES2ESR1MAPT
SCHEMBL1283643 0.78 CES2 (0.44) ATMCES1CES2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987557-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof TRIOPTOTEC GMBH (DE) 2024-05-21 US claimed
CN-115894881-B Flame-retardant liquid crystal polymer with rigidity and toughness and preparation method thereof 常州瑞杰新材料科技有限公司 2024-02-27 CN claimed
CN-115279875-B Grease composition 出光兴产株式会社 2024-01-12 CN claimed
CN-113490734-B Grease composition 出光兴产株式会社 2023-08-01 CN claimed
CN-113490733-B Grease composition, and method and device for lubricating sliding mechanism using same 出光兴产株式会社 2023-07-28 CN claimed
CN-113508171-B Grease composition 出光兴产株式会社 2023-06-06 CN claimed
CN-113348234-B Grease composition 出光兴产株式会社 2023-03-21 CN claimed
CN-112639060-B Grease composition for constant velocity joints 出光兴产株式会社 2022-12-09 CN claimed
US-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF TRIOPTOTEC GMBH (DE) 2020-03-19 US claimed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO claimed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP claimed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO claimed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO claimed
US-5288905-A Glycyl urea derivatives as anti-convulsants G. D. SEARLE & CO. (US) 1994-02-22 US claimed
US-4578382-A ANTIARRHYTHMIA AGENTS ETABLISSEMENTS NATIVELLE S.A. (FR) 1986-03-25 US claimed
US-4419490-A GROUP 8 METAL HEYL & CO. CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) 1983-12-06 US claimed
US-4304684-A Novel trialkyl aluminum cocatalyst EXXON RESEARCH & ENGINEERING CO. (US) 1981-12-08 US claimed
EP-0015762-A1 Ziegler type catalyst composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1980-09-17 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 (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-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF PYCR1, CRY1, PPOX ATM 1689/4885CES1 2088/4885CES2 2278/4885
US-11987557-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof PYCR1, CRY1, PPOX ATM 1689/4885CES1 2088/4885CES2 2278/4885

“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.