SCHEMBL4889688

SCHEMBL4889688

O=C(O)Cc1ccc2ccccc2c1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LDHA P00338 1/20 0.55
AKR1B1 P15121 1/20 0.52

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
SCHEMBL28538435 0.84
SCHEMBL28003639 0.83 TDP1 (0.67) TDP1KDM4EALDH1A1GLAGAA
SCHEMBL28067241 0.83 CYP1A1 (0.50) LDHA
SCHEMBL9748786 0.82 CYP1A2 (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30238199 0.81 KDM4E (0.69) TDP1KDM4EALDH1A1GLAGAA
SCHEMBL9682990 0.81 KDM4E (0.69) TDP1KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL8440785 0.81 TDP1 (0.96) TDP1KDM4EALDH1A1GLAGAA
SCHEMBL27926016 0.81 CYP1A2 (0.60) TDP1KDM4EALDH1A1LDHA
SCHEMBL11478267 0.80 TDP1 (0.62) TDP1KDM4EALDH1A1GLAGAA
SCHEMBL7468694 0.80 TDP1 (0.62) TDP1KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 US claimed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20080058336-A1 Methods to Treat Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US disclosed
US-20060276642-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-07 US disclosed
EP-1265849-B1 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2006-10-25 EP disclosed
US-7119085-B2 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-6992081-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US disclosed
US-6737420-B2 A SUBSTITUTED HYDROXYETHYLENE COMPOUND USEFUL FOR TREATING ALZHEIMER'S DISEASE, MILD COGNITIVE IMPAIRMENT, DOWN'S SYNDROME, HEREDIATARY CEREBRAL HEMMORRHAGE WITH AMYLOIDOSIS, DEGENERATIVE DEMENTIA ELAN PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-20030013881-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US disclosed
US-20020019403-A1 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-14 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 (9 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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 TDP1 570/4885KDM4E 1510/4885ALDH1A1 165/4885
US-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE TDP1 1331/4885KDM4E 1290/4885ALDH1A1 311/4885
US-20020019403-A1 Methods to treat alzheimer's disease PSEN1, PSEN2, BACE1 TDP1 707/4885KDM4E 1730/4885ALDH1A1 214/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 TDP1 4792/4885KDM4E 1854/4885ALDH1A1 1527/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TDP1 1064/4885KDM4E 1028/4885ALDH1A1 790/4885
US-20030013881-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BACE1 TDP1 589/4885KDM4E 1179/4885ALDH1A1 463/4885
US-20080058336-A1 Methods to Treat Alzheimer's Disease PSEN2, PSEN1, ACHE TDP1 1429/4885KDM4E 1658/4885ALDH1A1 412/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 TDP1 2491/4885KDM4E 2319/4885ALDH1A1 1663/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 TDP1 570/4885KDM4E 1510/4885ALDH1A1 165/4885

“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.