SCHEMBL18526956

SCHEMBL18526956

COc1cc(-c2cc(=O)c3c(OCc4ccccc4)cc(O)cc3o2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREB1 P16220 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ BCHE P06276 1/20 0.59
▸ ACHE P22303 1/20 0.59
▸ PPARG P37231 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ ABCB1 P08183 3/20 0.55
▸ POLH Q9Y253 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ CYP1B1 Q16678 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ ABCC1 P33527 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52

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
SCHEMBL18526951 0.87 ABCG2 (0.65) CREB1L3MBTL1BCHEACHEPPARG
SCHEMBL24514598 0.81 ABCB1 (0.68) L3MBTL1ACHEABCB1CYP1B1MEN1
SCHEMBL24514602 0.81 CYP1A1 (0.75) CREB1BCHEACHEMAPTABCB1
SCHEMBL16894650 0.81 ABCB1 (0.76) MAPTABCB1POLHAKR1B1MAOA
SCHEMBL19235588 0.81 ALDH1A1 (0.76) CREB1PPARGMAPTABCB1POLH
SCHEMBL21206267 0.80 ABCB1 (0.73) ACHEABCB1CYP1B1MEN1ALDH1A1
SCHEMBL4649969 0.80 ABCB1 (0.73) L3MBTL1ACHEABCB1CYP1B1MEN1
SCHEMBL24514601 0.80 ABCB1 (0.73) L3MBTL1ACHEABCB1CYP1B1MEN1
SCHEMBL7156543 0.80 ABCB1 (0.69) L3MBTL1ACHEABCB1CYP1B1MEN1
SCHEMBL30376265 0.80 ABCB1 (0.73) ACHEABCB1CYP1B1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10058582-B2 Therapeutic molecules and deviates for CRC ANTARTINA LLC (US) 2018-08-28 — — US disclosed
EP-3337493-A1 NEW THERAPEUTIC MOLECULES & DEVIATES FOR CRC Antartina LLC (US) 2018-06-27 — — EP disclosed
WO-2017031054-A1 NEW THERAPEUTIC MOLECULES & DEVIATES FOR CRC ANTARTINA LLC (US) 2017-02-23 — — WO disclosed
US-20170049839-A1 Therapeutic molecules & deviates for CRC NEOCAGE SL (AD) 2017-02-23 — — 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-10058582-B2 Therapeutic molecules and deviates for CRC DLD, APC, SEPTIN7 CREB1 3233/4885L3MBTL1 3546/4885BCHE 3529/4885

“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.

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