SCHEMBL7314503

SCHEMBL7314503

CCOC(=O)C1CCc2cccc(OC)c2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.56
CTDSP1 Q9GZU7 3/20 0.56
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
LDHA P00338 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
SCHEMBL14087988 0.87 TDP1 (0.65) TDP1CTDSP1CYP4F2CYP4A11MTNR1A
SCHEMBL14046828 0.84 CYP4F2 (0.52) TDP1CTDSP1CYP4F2CYP4A11L3MBTL1
SCHEMBL30982179 0.84 CYP4F2 (0.52) TDP1CTDSP1CYP4F2CYP4A11L3MBTL1
SCHEMBL4246764 0.84 CYP4F2 (0.52) TDP1CTDSP1CYP4F2CYP4A11L3MBTL1
SCHEMBL7117287 0.83 L3MBTL1 (0.45) TDP1CTDSP1L3MBTL1MTNR1AMTNR1B
SCHEMBL7109070 0.83 L3MBTL1 (0.45) TDP1CTDSP1L3MBTL1MTNR1AMTNR1B
SCHEMBL7552940 0.83 LTB4R (0.47) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL7552930 0.83 LTB4R (0.47) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL7557806 0.83 LTB4R (0.47) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8858322 0.82 MTNR1A (0.45) TDP1CTDSP1MTNR1AMTNR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177616-A1 Use of chromans BAYER AKTIENGESELLSCHAFT (DE) 2002-11-28 US disclosed
US-6060482-A SEROTONIN INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-09 US disclosed
US-5962513-A CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed
US-5696137-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5696136-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5693653-A ADMINISTERING AN ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5545643-A USEFUL FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5468882-A Serotoninergic agents; central nervous system and psychological disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5371094-A Azaheterocyclylmethyl-chromans for treating axiety BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5326771-A Piperidylmethyl-substituted chroman derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5318988-A Treating psychoses BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 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-20020177616-A1 Use of chromans SNCA, PARK7, COMT TDP1 120/4885CTDSP1 2015/4885CYP4F2 2724/4885

“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.