SCHEMBL3591606

SCHEMBL3591606

COc1cccc([C@@H]2CCC(=O)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
HTR2C P28335 3/20 0.48
CYP19A1 P11511 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3591609 1.00 LMNA (0.56) LMNADDB1CRBNHTR2CCYP19A1
SCHEMBL10698757 0.91 LMNA (0.53) LMNADDB1CRBNHTR2CCYP19A1
SCHEMBL28730898 0.84 CYP19A1 (0.38) LMNADDB1CRBNCYP19A1KDM4E
SCHEMBL8015845 0.81 MAOB (0.49) LMNADDB1CRBNCYP19A1MEN1
SCHEMBL28730825 0.80 HSD11B1 (0.48) HTR2CCYP19A1MEN1ALDH1A1KMT2A
SCHEMBL29576218 0.80 HSD11B1 (0.48) HTR2CCYP19A1MEN1ALDH1A1KMT2A
SCHEMBL30573394 0.80 HSD11B1 (0.48) HTR2CCYP19A1MEN1ALDH1A1KMT2A
SCHEMBL28730823 0.80 HSD11B1 (0.48) HTR2CCYP19A1MEN1ALDH1A1KMT2A
SCHEMBL2960656 0.78 LMNA (0.55) LMNADDB1CRBNHTR2CCYP19A1
SCHEMBL22882748 0.78 FFAR1 (0.49) LMNAHTR2CCYP19A1CYP3A4GID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409490-B Method for synthesizing chiral gamma-lactone by one-pot method 北京师范大学 2023-03-14 CN disclosed
CN-114409490-A Method for synthesizing chiral gamma-lactone by one-pot method 北京师范大学 2022-04-29 CN disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (2 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885DDB1 3395/4885CRBN 2167/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885DDB1 3395/4885CRBN 2167/4885

“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.