SCHEMBL12457724

SCHEMBL12457724

O=C1CCCCC(O)=C1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.41
NQO1 P15559 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
IDH1 O75874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CALM1 P0DP23 1/20 0.38

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
SCHEMBL16149017 0.89 CYP1A2 (0.47) LMNAMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL16545853 0.78 ESR1 (0.48) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8829522 0.77 ALOX5 (0.45) CYP1A2NQO1TAAR1
SCHEMBL10366435 0.76 MAOA (0.41) LMNAMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL14321667 0.75 VKORC1 (0.37) LMNAMAPTHPGDALOX15KMT2A
SCHEMBL7752320 0.72 IDH1 (0.42) LMNAALDH1A1POLBNQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL11522917 0.70 IDH1 (0.41) LMNAALDH1A1POLBNQO1SMN1; SMN2
SCHEMBL9861098 0.70 MAPK1 (0.42) LMNAALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL3895689 0.69 TSHR (0.47) ALDH1A1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL14327853 0.68 XIAP (0.39) TAAR1

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-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 US disclosed
US-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 US disclosed
WO-2012125797-A1 NUCLEAR HORMONE RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2012-09-20 WO 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-20120238549-A1 Nuclear Hormone Receptor Modulators NR5A1, NR5A2, NR3C2 LMNA 2541/4885MAPT 4409/4885ALDH1A1 1334/4885

“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.