SCHEMBL4055570

SCHEMBL4055570

Cc1cc(Br)ccc1C12CC3CC(c4ccc(Br)cc4C)(C1)CC(C14CC5CC(c6ccc(Br)cc6C)(CC(c6ccc(Br)cc6C)(C5)C1)C4)(C3)C2

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAD52 P43351 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
SCHEMBL4058589 0.93 KMT2A (0.35) MEN1KMT2ARAD52
SCHEMBL4059129 0.86 KMT2A (0.38) MEN1KMT2ARAD52
SCHEMBL4054774 0.82 GRIN2D (0.30)
SCHEMBL26272370 0.80 MEN1 (0.36) KDM1ATSHRMEN1KMT2AMAPT
SCHEMBL4056212 0.79 GRIN2D (0.35) MEN1KMT2ARAD52
SCHEMBL4056020 0.75
SCHEMBL4065190 0.73 TSHR (0.32) TSHRMEN1KMT2AMAPTALOX15
SCHEMBL4054643 0.73 MEN1 (0.47) KDM1AMEN1KMT2ARAD52
SCHEMBL4058572 0.70
SCHEMBL4065177 0.70 PYCR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-2014636-A1 Ethynylphenylbiadamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2009-01-14 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-20090030248-A1 Ethynylphenylbiadamantane derivatives CHRNA5, CHRNE, ADRA1D KDM1A 2691/4885TSHR 126/4885MEN1 3925/4885

“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.