SCHEMBL7120793

SCHEMBL7120793

COc1cc(C(O)C(Cl)(Cl)Cl)cc(OC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL7131005 0.82 TUBB1 (0.50) MAPTTSHRCYP3A4NFKB1BLM
SCHEMBL7121042 0.81 CA12 (0.41) ABL1BCRCA12CA1CA2
SCHEMBL7125073 0.80 TSHR (0.58) CA2GAAKMT2ATSHRCYP3A4
SCHEMBL3623356 0.78 ALDH1A1 (0.45) ABL1BCRCA1CA2PKM
SCHEMBL16372693 0.77 TUBB4A (0.55) ABL1BCRCA12CA1CA2
SCHEMBL21729392 0.77 CA12 (0.48) ABL1BCRCA12CA1CA2
SCHEMBL7127149 0.77 TUBB4A (0.55) MAPTKMT2ATSHRCYP3A4NFKB1
SCHEMBL15241086 0.75 PKM (0.47) ABL1BCRCA12CA1CA2
SCHEMBL20564940 0.74 PKM (0.50) ABL1BCRCA12CA1CA2
SCHEMBL1596157 0.74 PKM (0.50) ABL1BCRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4408074-A Process for preparing 1-(3,5-dimethoxy-4-hydroxy phenyl)-2-(N-methylamino) ethanol hydrochloride DR. LO. ZAMBELETTI S.P.A. (IT) 1983-10-04 US claimed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO disclosed
US-4408074-A Process for preparing 1-(3,5-dimethoxy-4-hydroxy phenyl)-2-(N-methylamino) ethanol hydrochloride DR. LO. ZAMBELETTI S.P.A. (IT) 1983-10-04 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 ABL1 668/4885BCR 1416/4885CA12 1636/4885

“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.