SCHEMBL2355461

SCHEMBL2355461

COC[C@H]1CC[C@@](NC(=O)Cc2cc(Br)ccc2Cl)(C(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
BACE1 P56817 1/20 0.35
CCR5 P51681 8/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
P2RX4 Q99571 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12458430 1.00 HPGD (0.36) HPGDBACE1CCR5ACACBACACA
SCHEMBL14689448 1.00 HPGD (0.36) HPGDBACE1CCR5ACACBACACA
SCHEMBL12458499 0.89 FFAR4 (0.34) CCR5ACACBACACANPC1RAB9A
SCHEMBL14689285 0.89 FFAR4 (0.34) CCR5ACACBACACANPC1RAB9A
SCHEMBL2354489 0.89 FFAR4 (0.34) CCR5ACACBACACANPC1RAB9A
SCHEMBL28802268 0.87 TSHR (0.32) KMT2A
SCHEMBL12458492 0.85 BACE1 (0.35) HPGDBACE1CCR5ACACBACACA
SCHEMBL12049505 0.83 ANO1 (0.47) HPGDANO1LMNAKMT2A
SCHEMBL12458498 0.79 FFAR4 (0.33) HPGDCCR5ANO1RAB9AKMT2A
SCHEMBL731914 0.78 ACACB (0.36) HPGDACACBACACANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 HPGD 90/4885BACE1 3453/4885CCR5 965/4885

“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.