SCHEMBL7552940

SCHEMBL7552940

COc1cccc2c1OC(C(=O)O)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PIN1 Q13526 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7552930 1.00 LTB4R (0.47) LTB4RLTB4R2MTNR1AMTNR1BNFKB1
SCHEMBL7557806 1.00 LTB4R (0.47) LTB4RLTB4R2MTNR1AMTNR1BNFKB1
Hydrochloric Acid SCHEMBL8858324 0.99 LTB4R (0.47) LTB4RLTB4R2MTNR1AMTNR1BNFKB1
SCHEMBL8858322 0.87 MTNR1A (0.45) MTNR1AMTNR1BNFKB1NFKB2RELA
SCHEMBL9371775 0.85 SMN1; SMN2 (0.49) MTNR1AMTNR1BCA1CA2
SCHEMBL13534458 0.83 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL7314503 0.83 TDP1 (0.56) LTB4RLTB4R2MTNR1AMTNR1BCYP1A2
SCHEMBL23911581 0.81 NFKB1 (0.41) LTB4RLTB4R2NFKB1NFKB2RELA
SCHEMBL9379902 0.81 MTNR1A (0.45) MTNR1AMTNR1BNFKB1NFKB2RELA
SCHEMBL8969478 0.79 TAAR1 (0.51) NFKB1NFKB2RELACA1CA2

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-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-5571909-A ANTIBIOTICS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1996-11-05 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-5492918-A Use of substituted chromans, some of which are known, as medicaments, new active compounds and processes for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed
EP-0628310-A1 Use of partially known substituted chromanes as medicine, new products and process for their preparation BAYER AG (DE) 1994-12-14 EP disclosed
US-5371094-A Azaheterocyclylmethyl-chromans for treating axiety BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP 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
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP 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 LTB4R 4157/4885LTB4R2 4276/4885MTNR1A 40/4885

“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.