SCHEMBL22278945

SCHEMBL22278945

COCCOc1nc2ccccc2cc1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
PPARD Q03181 1/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM4 Q14833 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDR P35968 1/20 0.41
GALR3 O60755 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL22263501 0.82 PPARD (0.47) PPARAPPARDALDH1A1GAAKDM4E
SCHEMBL28293113 0.78 TSHR (0.59) PPARAPPARDTSHRALDH1A1GAA
SCHEMBL17584292 0.74 ALDH1A1 (0.48) PPARAPPARDTSHRALDH1A1GAA
SCHEMBL27498521 0.73 TSHR (0.54) PPARAPPARDTSHRALDH1A1GAA
SCHEMBL22507637 0.73 PPARA (0.85) PPARAPPARDALDH1A1GAAKDM4E
SCHEMBL4228872 0.72 KDM4E (0.61) TSHRALDH1A1GAAKDM4EMEN1
SCHEMBL3340831 0.72 LMNA (0.77) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL2913722 0.71 ALDH1A1 (0.57) PPARAALDH1A1GAAKDM4EMEN1
SCHEMBL15563826 0.71 ALDH1A1 (0.52) PPARAPPARDALDH1A1GAAKDM4E
SCHEMBL17584653 0.71 ALDH1A1 (0.43) PPARAPPARDTSHRALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-17 US disclosed
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-09-03 US disclosed
US-20200239429-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-07-30 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 (3 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-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885TSHR 1420/4885
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885TSHR 1420/4885
US-20200239429-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885TSHR 1420/4885

“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.