SCHEMBL8966049

SCHEMBL8966049

c1ccc(C2c3ccccc3-c3ccc4ccccc4c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL8965802 0.87 MEN1 (0.44) ESR1ESR2ALDH1A1KDM4EMAPT
SCHEMBL17777815 0.84 ESR1 (0.39) ESR1ESR2ALDH1A1KDM4ENPSR1
SCHEMBL17765439 0.84 HPGD (0.48) ESR1ESR2MAPK1ALDH1A1KDM4E
SCHEMBL17765454 0.83 CYP1A2 (0.38) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL17765452 0.83 ESR1 (0.38) ESR1ESR2LMNAMAPK1CYP19A1
SCHEMBL17765409 0.82 ESR1 (0.43) ESR1ESR2LMNAMAPK1MAPT
SCHEMBL17765469 0.82 ESR1 (0.43) ESR1ESR2LMNAMAPK1MAPT
SCHEMBL17765400 0.79 TP53 (0.44) ESR1ESR2NPSR1CYP19A1CYP1A2
SCHEMBL17765392 0.79 NPSR1 (0.36) ESR1LMNAMAPK1ALDH1A1KDM4E
SCHEMBL17765385 0.79 CA1 (0.47) ESR1ESR2LMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 US claimed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 US claimed
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 US disclosed
EP-0524742-B1 Benzo(a)fluorene compounds LILLY CO ELI (US) 1996-02-28 EP disclosed
EP-0524742-A2 Benzo(a)fluorene compounds ELI LILLY AND COMPANY (US) 1993-01-27 EP disclosed
US-5147880-A Estrogenic and antiestrogenic activity ELI LILLY AND COMPANY (US) 1992-09-15 US disclosed
US-4539230-A COATING WALLS WITH A CHELATE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1985-09-03 US disclosed
EP-0126991-A1 A method for preventing deposition of polymer scale and a coating agent therefor Shin-Etsu Chemical Co., Ltd. (JP) 1984-12-05 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-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS OR51E2, OR10J3, ORC3 ESR1 2073/4885ESR2 1308/4885LMNA 283/4885

“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.