SCHEMBL6737463

SCHEMBL6737463

C=CCOC(=O)c1cc(C)cc(N)c1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
SNCA P37840 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL11067613 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL8786921 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL11227603 0.77 CYP3A4 (0.54) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL11071838 0.76 KDM4E (0.49) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL7672671 0.76 CYP3A4 (0.56) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL2143574 0.75 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL11061923 0.75 CYP3A4 (0.64) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL14217656 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL6736714 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL27684500 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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 (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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 ALDH1A1 4017/4885HSD17B10 3791/4885TSHR 4727/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 ALDH1A1 3961/4885HSD17B10 3877/4885TSHR 4746/4885

“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.