SCHEMBL6463512

SCHEMBL6463512

C=CCc1ccc2c(c1Cl)C(=O)C(OC)C2.COc1ccc2c(c1Br)C(=O)C(OC)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
HTR1A P08908 2/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 5/20 0.31
MAPT P10636 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
PTGS1 P23219 1/20 0.31
ALOX5 P09917 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
GABRA1 P14867 1/20 0.30
CNR2 P34972 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5952312 0.89 HTR1A (0.36) ACHEHTR1AELANEALDH1A1MAPT
SCHEMBL5952953 0.82 ACHE (0.48) ACHEALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL8170718 0.81
SCHEMBL11219178 0.67 ALDH1A1 (0.49) ELANEALDH1A1MAPTL3MBTL1POLB
SCHEMBL5952485 0.62 ACHE (0.69) ACHEALDH1A1MAPTKDM4E
SCHEMBL31040033 0.59 ACHE (0.39) ACHEALDH1A1CYP1A2KDM4EHPGD
SCHEMBL11115805 0.58 ACHE (0.39) ACHE
SCHEMBL24575396 0.57 KDM4E (0.56) ACHEALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL4981069 0.57 GABRA1 (0.55) ALDH1A1MAPTL3MBTL1ALOX5PPARG
SCHEMBL4978848 0.57 PYCR1 (0.48) ALDH1A1MAPTPOLBPTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885HTR1A 2570/4885ELANE 3425/4885

“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.