SCHEMBL3229628

SCHEMBL3229628

COc1cc(C(=O)O)cc(OC)c1CN1CCN(Cc2c(OC)cc(C(=O)O)cc2OC)CCN(Cc2c(OC)cc(C(=O)O)cc2OC)CCN(Cc2c(OC)cc(C(=O)O)cc2OC)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PTGS2 P35354 1/20 0.50
TPMT P51580 2/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Hydrochloric Acid SCHEMBL7445424 0.92 POLB (0.52) CA12CA1CA2CA4CA6
SCHEMBL3209262 0.85 SLC29A1 (0.51) ALDH1A1TSHRMAPTLMNAHPGD
SCHEMBL20196257 0.83 POLB (0.50) CA12CA1CA2CA4CA6
SCHEMBL7445171 0.80 KDM4E (0.52) ALDH1A1TSHRLMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL4268341 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNAGAASLC29A1POLB
SCHEMBL27857935 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPTLMNAHPGD
SCHEMBL15357929 0.78 DDR1 (0.44) ALDH1A1TSHRMAPTLMNAHPGD
SCHEMBL13427885 0.78 DDR1 (0.48) PKMALDH1A1TSHRLMNAHPGD
Bromide SCHEMBL3217532 0.77 DDR1 (0.47) PKMALDH1A1TSHRLMNAHPGD
SCHEMBL10317598 0.77 CA12 (0.62) CA12CA1CA2CA4CA6

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-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 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-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents SLC39A3, ZNF277, TPR CA12 843/4885CA1 1452/4885CA2 1342/4885

“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.