SCHEMBL2010378

SCHEMBL2010378

CCOc1c(C)cc(C=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TACR2 P21452 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13497712 0.89 ALDH1A1 (0.51) SRCALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL5351709 0.85 SRC (0.53) SRCALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL5144244 0.82 SRC (0.47) SRCALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL13858739 0.82 ALDH1A1 (0.53) SRCALDH1A1L3MBTL1KDM4EGAA
SCHEMBL8612271 0.82 SRC (0.50) SRCALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL146679 0.80 SRC (0.49) SRCALDH1A1L3MBTL1MAPTHPGD
SCHEMBL8035224 0.80 THRA (0.51) SRCALDH1A1KDM4ELMNAMAPT
SCHEMBL20887638 0.79 SRC (0.45) SRCALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6850758 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL20271929 0.79 SRC (0.47) SRCALDH1A1L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
EP-1370213-A4 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-26 EP disclosed
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 EP disclosed
EP-1425342-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2004-06-09 EP disclosed
EP-1370213-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2003-12-17 EP disclosed
US-6599964-B2 Plastic additives useful as nucleating agents for improving optical properties/radiation transparency; for food or cosmetic containers and packaging MILLIKEN & COMPANY 2003-07-29 US disclosed
US-20030004238-A1 Novel asymmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-02 US disclosed
US-6495620-B1 PLASTIC ADDITIVES; NUCLEATING AGENTS; IMPROVING OPTICAL PROPERTIES SUCH AS TRANSPARENCY MILLIKEN & COMPANY 2002-12-17 US disclosed
US-20020183423-A1 Novel symmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2002-12-05 US disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 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-20020183423-A1 Novel symmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same SORD, PDK1, DDT SRC 4627/4885ALDH1A1 154/4885L3MBTL1 1362/4885
US-20030004238-A1 Novel asymmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same ADH1C, SORD, PCNA SRC 4659/4885ALDH1A1 46/4885L3MBTL1 989/4885

“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.