SCHEMBL5963748

SCHEMBL5963748

O=C(O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL11388489 0.84 SMN1; SMN2 (0.42) TDP1HPGDTSHRLMNATP53
SCHEMBL28439957 0.83 TDP1 (0.44) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL28437577 0.83 TDP1 (0.44) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL5694473 0.82 TSHR (0.64) TDP1TSHRLMNATP53ALDH1A1
SCHEMBL28438469 0.82 TDP1 (0.46) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL6938579 0.82 TDP1 (0.41) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL5012212 0.82 TDP1 (0.41) TDP1HPGDHSD17B10ALOX15TSHR
Mannitol SCHEMBL21522526 0.80 LMNA (0.69) TDP1HPGDHSD17B10ALOX15TSHR
Mannitol SCHEMBL21522528 0.80 LMNA (0.69) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL7605933 0.79 HPGD (0.50) TDP1HPGDHSD17B10ALOX15TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697774-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2020-08-26 EP disclosed
EP-3654969-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2020-05-27 EP disclosed
WO-2019079760-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-25 WO disclosed
WO-2019018395-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-24 WO disclosed
WO-2019018353-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-24 WO disclosed
US-7151084-B2 Compound and method of treating neurogenic conditions using non-steroidal anti-inflammatory drug complexes MILLER LANDON C G 2006-12-19 US disclosed
US-20060142181-A1 Compound and method of treating neurogenic conditions using non-steroidal anti-inflammatory drug complexes MILLER LANDON C 2006-06-29 US disclosed
EP-0783306-A4 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO INC (US) 1998-09-23 EP disclosed
EP-0783306-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
EP-0708765-A4 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO INC (US) 1996-06-26 EP disclosed
WO-1996009824-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996008239-A1 USE OF 5-ALPHA-REDUCTASE INHIBITORS TO INCREASE HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1996-03-21 WO disclosed
EP-0663827-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1995-11-15 EP disclosed
WO-1995019773-A1 CARBOSTYRIL OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-07-27 WO disclosed
EP-0663827-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-07-26 EP disclosed
WO-1995002607-A1 7-SUBSTITUTED-Δ4-6-AZASTEROID DERIVATIVES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1995-01-26 WO disclosed
WO-1995002587-A1 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed
WO-1994021614-A1 SUBSTITUTED 3-PHENANTHRIDINONE DERIVATIVES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994007496-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-14 WO disclosed
WO-1993006092-A1 PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1993-04-01 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-20060142181-A1 Compound and method of treating neurogenic conditions using non-steroidal anti-inflammatory drug complexes VIP, GIPR, GRPR TDP1 2903/4885HPGD 1786/4885HSD17B10 4585/4885

“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.