SCHEMBL6050179

SCHEMBL6050179

[CH2]C(C)CC(=O)OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ALOX5 P09917 2/20 0.50
APP P05067 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1B10 O60218 1/20 0.46

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
SCHEMBL8882104 0.90 LMNA (0.57) TDP1NPC1RAB9AALDH1A1HPGD
SCHEMBL114173 0.88 TDP1 (0.58) TDP1ALOX5APPHCAR2ESR1
SCHEMBL5907642 0.87 TDP1 (0.56) TDP1ALOX5APPHCAR2ESR1
SCHEMBL16673203 0.84 TDP1 (0.53) TDP1ALOX5APPHCAR2ESR1
SCHEMBL27710645 0.83 ALDH1A1 (0.59) TDP1HCAR2L3MBTL1TSHRALDH1A1
SCHEMBL7406398 0.83 ALDH1A1 (0.59) TDP1HCAR2L3MBTL1TSHRALDH1A1
SCHEMBL28505436 0.81 TDP1 (0.58) TDP1ALOX5APPHCAR2ESR1
SCHEMBL11670330 0.80 TDP1 (0.56) TDP1ALOX5APPHCAR2ESR1
SCHEMBL8669032 0.80 TDP1 (0.51) TDP1ALOX5APPHCAR2ESR1
SCHEMBL3369556 0.79 TDP1 (0.63) TDP1ALOX5APPHCAR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084710-B1 ADENOSINE A1 ANTAGONISTS FOR MALE STERILITY ASTELLAS PHARMA INC (JP) 2006-10-18 EP disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
US-6521656-B1 Contacting sperm with a pyrazolo(1,5-a)pyridine acrosomal reaction induction promoter then joining with ovum FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
US-6303624-B1 PREVENTION AND/OR TREATMENT OF HYPERPHOSPHATEMIA OR SECONDARY HYPERPARATHYROIDISM, INCLUSIVE OF ACCESSORY DISORDERS BY ADMINISTERING A PHARMACEUTICAL COMPOSITION WHICH COMPRISES AN ADENOSINE ANTAGONIST COMPOUND OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-16 US disclosed
US-6214843-B1 TREATING AND/OR PREVENTING GASTROINTESTINAL DYSFUNCTION WITH A PYRAZOLOPYRIDINE COMPOUND WHICH COMPRISES AN ADENOSINE ANTAGONIST COMPOUND OR ITS SALT FUJITSAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-10 US disclosed
EP-1084710-A1 REMEDIES FOR MALE STERILITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-21 EP disclosed
EP-0972525-A1 PREVENTIVES AND REMEDIES FOR HYPERPHOSPHATEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-19 EP disclosed
EP-0900796-A1 PREVENTIVES AND REMEDIES FOR ISCHEMIC INTESTINAL LESION AND ILEUS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 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 (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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B TDP1 1319/4885ALOX5 1278/4885APP 151/4885

“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.