SCHEMBL4604101

SCHEMBL4604101

CN1CCN(c2ccccc2COCC(=O)CNc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 3/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
F10 P00742 1/20 0.41
HTR7 P34969 2/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 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
SCHEMBL4603923 0.90 AKR1C3 (0.46) AKR1C3ALDH1A1GAATSHRFFAR1
SCHEMBL4604742 0.89 KDM4E (0.46) AKR1C3ALDH1A1GAANPC1KMT2A
SCHEMBL4606142 0.84 AKR1C3 (0.46) AKR1C3ALDH1A1GAATSHRHTR1A
SCHEMBL4606040 0.78 AKR1C3 (0.46) AKR1C3ALDH1A1GAATSHRHTR1A
SCHEMBL4606385 0.77 AKR1C3 (0.52) AKR1C3FFAR1KMT2AMAPTPPARA
SCHEMBL4606307 0.74 AKR1C3 (0.48) AKR1C3ALDH1A1GAATSHRFFAR1
SCHEMBL4605194 0.73 ALDH1A1 (0.50) AKR1C3ALDH1A1GAATSHRNPC1
SCHEMBL1825476 0.72 PPARA (0.64) AKR1C3FFAR1PPARA
SCHEMBL1826193 0.72 MRGPRX4 (0.61) AKR1C3FFAR1NPC1RAB9AMAPK1
SCHEMBL1823554 0.72 PPARA (0.50) AKR1C3GAAFFAR1NPC1RAB9A

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
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 AKR1C3 246/4885ALDH1A1 308/4885GAA 864/4885

“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.