SCHEMBL6301200

SCHEMBL6301200

COc1cccc(C(CCC(=O)O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.67
MTNR1B P49286 6/20 0.67
CASR P41180 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ALPL P05186 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL9423408 0.86 CNR2 (0.61) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL27766744 0.85 MTNR1A (0.52) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL11436413 0.85 L3MBTL1 (0.62) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL11436469 0.85 L3MBTL1 (0.62) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL11436414 0.85 L3MBTL1 (0.62) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL28269689 0.84 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1LMNA
SCHEMBL28269690 0.84 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1LMNA
SCHEMBL6301269 0.83 MTNR1A (0.63) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL23216480 0.81 MTNR1A (0.52) MTNR1AMTNR1BCASRL3MBTL1TDP1
SCHEMBL29664636 0.81 MTNR1A (0.52) MTNR1AMTNR1BCASRL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 MTNR1A 2828/4885MTNR1B 3212/4885CASR 2450/4885

“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.