SCHEMBL5853860

SCHEMBL5853860

ClC(Br)CCCCOc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
RARB P10826 1/20 0.33
ALDH3A1 P30838 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SLC2A1 P11166 1/20 0.31
PRSS1 P07477 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRMT1 Q99873 3/20 0.30
F2 P00734 2/20 0.30
ST14 Q9Y5Y6 2/20 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
SCHEMBL2089589 0.84 KCNA3 (0.39) KCNA3RARBALDH3A1HDAC3HDAC4
SCHEMBL3038199 0.82 TDP1 (0.41) KCNA3RARBSLC2A1L3MBTL1GAA
SCHEMBL3016040 0.81 KCNA3 (0.36) KCNA3RARBHDAC3HDAC4HDAC1
SCHEMBL8941219 0.77 TDP1 (0.41) KCNA3SLC2A1PRSS1GAATDP1
SCHEMBL919130 0.77 KCNA3 (0.46) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL10608344 0.76 RARB (0.50) KCNA3RARBHDAC3HDAC4HDAC1
SCHEMBL921280 0.76 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL9357916 0.75 KCNA3 (0.38) KCNA3RARBALDH3A1HDAC3HDAC4
SCHEMBL921941 0.75 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL919856 0.75 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074829-B2 Antiestrogens, process for their production and their pharmaceutical use SCHERING AG (DE) 2006-07-11 US disclosed
US-20030162830-A1 New antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-6559181-B1 A method to treat endometrial carcinoma, prostate cancer, or prostate hyperplasia comprising administering to a patient in need of such treatment an effective dose of a 3,4-Diphenyl-bicyclo(4.3.0)nonyl compound of formula I SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-06 US disclosed
EP-1086077-A1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION Schering Aktiengesellschaft (DE) 2001-03-28 EP disclosed
US-6166075-A Antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
WO-1999064393-A1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION SCHERING AKTIENGESELLSCHAFT (DE) 1999-12-16 WO 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-20030162830-A1 New antiestrogens, process for their production and their pharmaceutical use CYP19A1, NR5A1, HSD17B11 KCNA3 2510/4885RARB 1135/4885ALDH3A1 2365/4885

“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.