SCHEMBL7050756

SCHEMBL7050756

O=C(c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.57
FAAH O00519 1/20 0.56
P2RX7 Q99572 3/20 0.53
HPGD P15428 1/20 0.51
CNR2 P34972 1/20 0.50
HSD11B1 P28845 1/20 0.49
LMNA P02545 2/20 0.49
EPHX1 P07099 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL419229 0.86 MEN1 (0.59) ALDH1A1KDM4ETSHRHTTP2RX7
SCHEMBL13148549 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRHTTFAAH
SCHEMBL13052367 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRHTTFAAH
SCHEMBL11259126 0.81 LMNA (0.46) ALDH1A1KDM4ETSHRHTTFAAH
SCHEMBL539067 0.81 RAB9A (0.57) ALDH1A1HTTP2RX7CNR2LMNA
SCHEMBL27837991 0.81 KMT2A (0.62) ALDH1A1KDM4EHTTP2RX7HSD11B1
SCHEMBL4599684 0.81 KDM4E (0.54) ALDH1A1KDM4ETSHRHTTFAAH
SCHEMBL27574792 0.79 KDM4E (0.51) ALDH1A1KDM4ETSHRHTTFAAH
SCHEMBL8581921 0.78 CNR2 (0.63) ALDH1A1KDM4EP2RX7HPGDCNR2
Benzamide SCHEMBL28953881 0.78 TSHR (0.55) ALDH1A1KDM4ETSHRHTTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946180-A Chiral iridium complex and preparation method and application thereof 南方科技大学 2024-04-30 CN disclosed
CN-111056890-B Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2022-10-14 CN disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-0946440-B1 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM CORNING INC (US) 2003-04-23 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6099759-A USED IN PHOTOCHROMIC OPHTHALMIC ARTICLES SUCH AS LENSES CORNING INCORPORATED (US) 2000-08-08 US disclosed
EP-0946440-A4 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM CORNING INC (US) 2000-03-22 EP disclosed
CN-1241170-A 2-adamantyl benzopyrans, composition and (co)polymer matrixes contg. them CORNING INC (US) 2000-01-12 CN disclosed
EP-0946440-A1 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM CORNING INCORPORATED (US) 1999-10-06 EP disclosed
US-5888432-A PHOTOCHROMIC COMPOUNDS CORNING INCORPORATED (US) 1999-03-30 US disclosed
WO-1998028235-A1 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM CORNING INCORPORATED (US) 1998-07-02 WO disclosed
US-4200588-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC THE UPJOHN COMPANY (US) 1980-04-29 US disclosed
US-4130561-A Polycycloanilines THE UPJOHN COMPANY (US) 1978-12-19 US disclosed
US-4120899-A HYPOLIPEDEMIC, ANTIATHEROSCLEROTIC THE UPJOHN COMPANY (US) 1978-10-17 US disclosed
US-4036977-A HYPOLIPEDEMIC AND ANTIATHEROSCLEROTIC PROPERTIES THE UPJOHN COMPANY (US) 1977-07-19 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 (1 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885KDM4E 377/4885TSHR 2306/4885

“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.