SCHEMBL20644282

SCHEMBL20644282

COC(=O)c1ccc(Br)c(CCBr)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
NOTUM Q6P988 1/20 0.49
MAPT P10636 5/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
CYP4A11 Q02928 2/20 0.43
CYP4F2 P78329 1/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL27594634 0.87 NOTUM (0.53) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL15903171 0.87 NPC1 (0.56) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL3273922 0.87 CCR6 (0.49) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL256770 0.87 NOTUM (0.51) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL29715212 0.87 NOTUM (0.51) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL17798915 0.86 CCR6 (0.48) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL2358109 0.85 NOTUM (0.53) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL27771420 0.84 CA12 (0.51) MAPTCA1CA2CA12CA7
SCHEMBL6617704 0.84 MAPT (0.46) CCR6HKDC1NOTUMMAPTCA1
SCHEMBL6618854 0.84 ALDH1A1 (0.49) CCR6HKDC1NOTUMMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 US disclosed
CN-102933563-A Substituted 3,5-di phenyl-isoxazoline derivatives as insecticides and acaricides AH US 42 CO LTD 2013-02-13 CN disclosed
CN-102245602-A Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA 2011-11-16 CN disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
CN-101910121-A Bis (sulfonylamino) derivatives 066 in therapy ASTRAZENECA AB 2010-12-08 CN disclosed
CN-101815707-A oxadiazole diaryl compounds MERCK SERONO SA 2010-08-25 CN disclosed
CN-1149196-C Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists ����˹�ж�-����˹˹������˾ 2004-05-12 CN 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-10183917-B2 Tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 CCR6 1099/4885HKDC1 1720/4885NOTUM 1258/4885

“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.