SCHEMBL3286134

SCHEMBL3286134

CCOC(=O)C1C(=O)CCN(C2CCCCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 11/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 3/20 0.42
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.38
TLR4 O00206 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL22216375 0.99 POLB (0.44) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22216157 0.96 POLB (0.41) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22323003 0.93 ALDH1A1 (0.40) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL23000018 0.80 TP53 (0.47) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9685715 0.80 POLB (0.39) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22999540 0.76 FPR2 (0.42) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL1303947 0.76 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4718434 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL978323 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL3367604 0.75 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420637-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2013-04-16 US disclosed
US-7718830-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2010-05-18 US disclosed
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2010-01-14 US disclosed
US-7618966-B2 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-17 US disclosed
US-7612101-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-03 US disclosed
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension ALLERGAN, INC. 2007-10-25 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 (4 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-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR POLB 4018/4885HPGD 1521/4885SMN1; SMN2 4841/4885
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR POLB 4018/4885HPGD 1521/4885SMN1; SMN2 4841/4885
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension PTGIR, PTGS1, PTGIS POLB 2322/4885HPGD 138/4885SMN1; SMN2 4863/4885
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR POLB 4018/4885HPGD 1521/4885SMN1; SMN2 4841/4885

“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.