SCHEMBL23027982

SCHEMBL23027982

C=CCc1cc(C(=O)OC)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
PTPN1 P18031 4/20 0.46
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
P4HB P07237 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL502441 0.83 ALDH1A1 (0.48) NOTUMPTPN1CA12CA1CA2
SCHEMBL542210 0.83 CA1 (0.57) PTPN1HKDC1CA12CA1CA2
SCHEMBL5586280 0.83 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL2358109 0.82 NOTUM (0.53) NOTUMCCR6HKDC1CA12CA1
SCHEMBL3542900 0.82 PTPN1 (0.57) PTPN1MAPTELANEMEN1KMT2A
SCHEMBL256770 0.81 NOTUM (0.51) NOTUMCCR6HKDC1CA12CA1
SCHEMBL2310555 0.81 P4HB (0.52) NOTUMCCR6HKDC1CA12CA1
SCHEMBL29715212 0.81 NOTUM (0.51) NOTUMCCR6HKDC1CA12CA1
SCHEMBL9107524 0.80 KDM4E (0.49) NOTUMCA12CA1CA2CA7
SCHEMBL6478663 0.80 XDH (0.57) PTPN1CCR6HKDC1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 US 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-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 NOTUM 4745/4885PTPN1 522/4885CCR6 720/4885

“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.