SCHEMBL5437376

SCHEMBL5437376

CC1CC1(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
CCR2 P41597 1/20 0.45
SLC6A2 P23975 6/20 0.44
SLC6A3 Q01959 5/20 0.44
SLC6A4 P31645 4/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2C P28335 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8107068 0.84 AKR1C1 (0.46) MAOBCYP2D6AKR1C1
SCHEMBL8572147 0.84 MAOB (0.49) MAOBCCR2SLC6A2SLC6A3SLC6A4
SCHEMBL8105095 0.84 AKR1C1 (0.46) MAOBCYP2D6AKR1C1
SCHEMBL12020309 0.84 AKR1C1 (0.46) MAOBCYP2D6AKR1C1
SCHEMBL20512694 0.82 KDM4E (0.38) MAOBCCR2CYP2D6KDM4EMAPK1
SCHEMBL16859977 0.82 L3MBTL1 (0.50) KDM4EMAPK1
SCHEMBL9330568 0.81 AKR1C1 (0.47) CYP2D6AKR1C1
SCHEMBL20747777 0.81 ADAM17 (0.52) HTR2C
SCHEMBL8574804 0.81 MAOB (0.50) MAOBCCR2SLC6A2SLC6A3SLC6A4
SCHEMBL15557325 0.81 ADAM17 (0.62)

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
EP-2493991-B1 ANTIREFLECTIVE COMPOSITION FOR PHOTORESISTS MERCK PATENT GMBH (DE) 2016-03-02 EP claimed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 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-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 MAOB 424/4885CCR2 4476/4885SLC6A2 844/4885

“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.