SCHEMBL570511

SCHEMBL570511

CCC(C)c1cc(/C=C/C(=O)c2ccccc2)cc(C=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MAOB P27338 3/20 0.44
CYP1B1 Q16678 2/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.44
TNFRSF1A P19438 1/20 0.44
ACHE P22303 1/20 0.44
RECQL P46063 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
CYP3A4 P08684 3/20 0.44
HSPD1 P10809 2/20 0.44
HSPE1 P61604 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL570512 1.00 MAPT (0.46) MAPTRAB9AKMT2ANPC1MAOB
SCHEMBL571064 0.90 MAPT (0.48) MAPTRAB9AKMT2AMAOBCYP1B1
SCHEMBL570725 0.90 MAPT (0.48) MAPTRAB9AKMT2AMAOBCYP1B1
SCHEMBL15166639 0.89 MAOB (0.48) MAPTMAOBCYP1B1LMNAMAOA
SCHEMBL15166640 0.89 MAOB (0.48) MAPTMAOBCYP1B1LMNAMAOA
SCHEMBL15166607 0.81 ABCG2 (0.53) MAPTCYP1B1LMNATNFRSF1AALDH1A1
SCHEMBL12504894 0.81 ABCG2 (0.53) MAPTCYP1B1LMNATNFRSF1AALDH1A1
SCHEMBL570577 0.78 ERN1 (0.40) ALDH1A1
SCHEMBL21428581 0.76 NPC1 (0.57) MAPTRAB9AKMT2ANPC1LMNA
SCHEMBL28513847 0.76 NPC1 (0.57) MAPTRAB9AKMT2ANPC1LMNA

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-8815940-B2 Coumarin-chalcones as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-26 US disclosed
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 US disclosed
EP-2601183-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2013-06-12 EP disclosed
WO-2012017454-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-02-09 WO 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-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS HCCS, XPO5, CIAPIN1 MAPT 3772/4885RAB9A 3704/4885KMT2A 3677/4885

“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.