SCHEMBL978478

SCHEMBL978478

C[C@]12CC=C3c4ccccc4CC[C@H]3[C@@H]1CCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
STS P08842 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL5331450 0.82 SHBG (0.52) SHBGSTSNR3C1ALDH1A1HTR2B
SCHEMBL6272318 0.73 HSD17B1 (0.44) SHBGGAA
SCHEMBL9634786 0.73 SHBG (0.31) SHBG
SCHEMBL4620745 0.69 HSD17B1 (0.32) SHBGDRD2HTR2AHTR2CHTR2B
SCHEMBL7179498 0.68 NR5A1 (0.34)
SCHEMBL20952970 0.65 MAPT (0.35) KDM4EALDH1A1GAADRD2HTR2A
SCHEMBL8052596 0.64 SHBG (0.36) SHBGSTS
SCHEMBL8052597 0.64 SHBG (0.36) SHBGSTS
SCHEMBL10619690 0.64 SHBG (0.31) SHBG
SCHEMBL11096655 0.64 SHBG (0.70) SHBGSTSNR3C1ALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156876-B2 Modified, hydroxy-substituted aromatic structures having cytoprotective activity WASHINGTON UNIVERSITY (US) 2015-10-13 US disclosed
EP-1834959-B1 Tert-butyl-substituted aromatic steroids having cytoprotective activity UNIV WASHINGTON (US) 2012-08-08 EP disclosed
US-20110015165-A1 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2011-01-20 US disclosed
US-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens PETERS OLAF 2008-07-31 US disclosed
US-7378404-B2 8β-hydrocarbyl-substituted estratrienes for use as selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-05-27 US disclosed
EP-1834959-A2 Tert-butyl-substituted aromatic steroids having cytoprotective activity WASHINGTON UNIVERSITY (US) 2007-09-19 EP disclosed
EP-1330467-B1 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY UNIV WASHINGTON (US) 2007-05-02 EP disclosed
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
US-20060009438-A2 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY WASHINGTON UNIVERSITY (US) 2006-01-12 US disclosed
US-20050054624-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity WASHINGTON UNIVERSITY (US) 2005-03-10 US disclosed
US-6844456-B2 Modified, hydroxy-substituted aromatic structures having cytoprotective activity WASHINGTON UNIVERSITY (US) 2005-01-18 US disclosed
US-20040029847-A1 8Beta-substituted-11-beta-pentyl-and 11-beta-hexyl-estra-1,3,5(10)-triene derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-20030176405-A1 8 Beta-hydrocarbyl-substituted estratrienes for use as selective estrogens BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-18 US disclosed
US-20020103178-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity WASHINGTON UNIVERSITY 2002-08-01 US disclosed
EP-0882735-B1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation JENAPHARM GMBH (DE) 2000-04-19 EP disclosed
EP-0882735-A1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation Jenapharm GmbH & Co. KG (DE) 1998-12-09 EP disclosed
US-4029648-A Process of making gona-1,3,5(10),9(11)-tetraenes VEB JENAPHARM (DL) 1977-06-14 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 (8 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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA SHBG 7/4885STS 293/4885NR3C1 53/4885
US-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens ESR2, ESR1, ESRRA SHBG 10/4885STS 579/4885NR3C1 136/4885
US-20020103178-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity ESR2, BAD, GPX4 SHBG 5/4885STS 656/4885NR3C1 186/4885
US-20040029847-A1 8Beta-substituted-11-beta-pentyl-and 11-beta-hexyl-estra-1,3,5(10)-triene derivatives GPER1, ESRRA, ESR2 SHBG 13/4885STS 665/4885NR3C1 63/4885
US-20060009438-A2 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY ESR2, BAX, GPX4 SHBG 4/4885STS 779/4885NR3C1 151/4885
US-20110015165-A1 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY GPX4, NR5A1, ESR2 SHBG 11/4885STS 780/4885NR3C1 179/4885
US-20050054624-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity GPX4, NR5A1, ESR2 SHBG 11/4885STS 780/4885NR3C1 179/4885
US-20030176405-A1 8 Beta-hydrocarbyl-substituted estratrienes for use as selective estrogens ESR2, ESRRA, ESRRB SHBG 11/4885STS 475/4885NR3C1 111/4885

“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.