SCHEMBL7455290

SCHEMBL7455290

COc1ccc2cc(-c3ccc(OCc4ccccc4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
SCD O00767 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPRA P18433 1/20 0.48
NR4A2 P43354 1/20 0.48
BCHE P06276 1/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7456912 0.95 MAOB (0.55) MAOBSCDPTPN1PTPRANR4A2
SCHEMBL30430896 0.92 ALOX5 (0.55) MAOBPTPN1PTPRANR4A2ESR1
SCHEMBL6807350 0.88 ALOX5 (0.57) MAOBPTPN1PTPRANR4A2NPC1
SCHEMBL7453943 0.86 ESR1 (0.58) MAOBPTPN1PTPRANR4A2BCHE
SCHEMBL6832572 0.85 ESR1 (0.58) TP53NFKB1RAB9ANFKB2RELA
SCHEMBL17845134 0.85 MAOB (0.51) MAOBPTPN1PTPRANR4A2ESR1
SCHEMBL7452873 0.82 CA12 (0.47) MAOBPTPN1PTPRANR4A2RAB9A
SCHEMBL1665299 0.82 NPC1 (0.56) TP53NFKB1RAB9ANFKB2RELA
SCHEMBL31310542 0.82 NPC1 (0.56) TP53NFKB1RAB9ANFKB2RELA
SCHEMBL21906717 0.81 MRGPRX4 (0.47) PTPN1PTPRANR4A2ESR1ESR2

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
US-20020013342-A1 Treatment of central nervous system disorders with selective estrogen receptor modulators BALES KELLY RENEE (US) 2002-01-31 US disclosed
EP-1113013-A1 Benzothiophene compounds, intermediates, compositions and methods Eli Lilly & Company (US) 2001-07-04 EP disclosed
US-6197790-B1 OSTEOPOROSIS ELI LILLY AND COMPANY 2001-03-06 US disclosed
US-6077852-A ADMINISTERING TO THE PATIENT SUFFERING FROM ALZHEIMER'S DISEASE A SUBSTITUTED BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 2000-06-20 US disclosed
US-6030986-A POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ESTROGEN INDUCED UTERINE CANCER; OSTEOPOROSIS; RESTENOSIS; CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5998441-A ANTICHOLESTEROL AGENT; MIXTURE WITH ESTROGEN ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5986109-A UROGENITAL DISORDERS, CARDIOVASCULAR DISORDERS AND ANTICARCINOGENIC AGENTS ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5985898-A INHIBITING HYPERLIPIDEMIA RESULTED FROM ESTROGEN DEFICIENCY DISEASE, REDUCING SERUM CHOLESTEROL, ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5981765-A FOR TREATMENT OF POST-MENOPAUSAL SYNDROME INCLUDING OSTEOPOROSIS, CARDIOVASCULAR EFFECTS SUCH AS HYPERLIPIDEMIA, AND ESTROGEN-DEPENDENT CANCER, PARTICULARLY BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1999-11-09 US disclosed
US-5977093-A INHIBITING ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5969142-A OXIDIZING SULFUR ATOM OF SUBSTITUTED BENZOTHIOPHENE, REACTING PRODUCT WITH NUCLEOPHILIC GROUP, REDUCING PRODUCT TO DESIRED COMPOUND ELI LILLY AND COMPANY (US) 1999-10-19 US disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 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-20020013342-A1 Treatment of central nervous system disorders with selective estrogen receptor modulators ESR1, ESRRA, ESR2 MAOB 1434/4885SCD 2910/4885PTPN1 2528/4885

“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.