SCHEMBL6397463

SCHEMBL6397463

Clc1ccc(C2C=CCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL17754467 1.00 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A3TAAR1MAPK1
SCHEMBL17747362 0.79 ALDH1A1 (0.34) LMNAALDH1A1ALOX12SMN1; SMN2HTR2A
SCHEMBL7100928 0.79 ATM (0.39) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL17747364 0.79 ALDH1A1 (0.34) LMNAALDH1A1ALOX12SMN1; SMN2HTR2A
SCHEMBL17754471 0.79 ATM (0.39) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL17754470 0.78 TSHR (0.44) SLC6A2SLC6A3TAAR1LMNACYP2A6
SCHEMBL17747348 0.76 ALDH1A1 (0.41) CYP2A6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17747346 0.76 ALDH1A1 (0.41) CYP2A6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17754466 0.75 MAOA (0.43) SLC6A2SLC6A3MAPK1SLC6A4ALDH1A1
SCHEMBL16402611 0.75 SLC6A2 (0.38) SLC6A2SLC6A3LMNASLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192286-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-09-01 US disclosed
WO-2005040109-A1 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-06 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-20050192286-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC5R CHRNA7 154/4885SLC6A2 312/4885SLC6A3 255/4885

“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.