SCHEMBL14947392

SCHEMBL14947392

COc1cc(C(=O)/C=C/C=C/c2ccccc2SC)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 1.00
▸ TNFRSF1A P19438 3/20 0.56
▸ CAPN1 P07384 2/20 0.54
▸ CTSL P07711 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ KRAS P01116 1/20 0.50
▸ TUBB1 Q9H4B7 3/20 0.47
▸ TUBB4A P04350 2/20 0.47
▸ TUBB P07437 2/20 0.47
▸ TUBA3C P0DPH7 2/20 0.47
▸ TUBA1B P68363 2/20 0.47
▸ TUBA4A P68366 2/20 0.47
▸ TUBB4B P68371 2/20 0.47
▸ TUBB3 Q13509 2/20 0.47
▸ TUBB2A Q13885 2/20 0.47
▸ TUBB8 Q3ZCM7 2/20 0.47
▸ TUBA3E Q6PEY2 2/20 0.47
▸ TUBA1A Q71U36 2/20 0.47
▸ TUBA1C Q9BQE3 2/20 0.47

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
SCHEMBL527576 1.00 ABCB1 (1.00) ABCB1TNFRSF1ACAPN1CTSLCTSB
SCHEMBL527372 0.87 ABCB1 (1.00) ABCB1TNFRSF1ACAPN1CTSLCTSB
SCHEMBL14947390 0.87 ABCB1 (1.00) ABCB1TNFRSF1ACAPN1CTSLCTSB
SCHEMBL14947394 0.83 ABCB1 (0.81) ABCB1TNFRSF1ACAPN1CTSLCTSB
SCHEMBL14947393 0.80 TNFRSF1A (0.82) ABCB1TNFRSF1AABCG2KRASTUBB1
SCHEMBL14947391 0.77 ABCB1 (1.00) ABCB1CAPN1CTSLCTSBNPC1
SCHEMBL15286194 0.76 ABCB1 (0.65) ABCB1TNFRSF1ATUBB1TUBB4ATUBB
SCHEMBL15285833 0.75 ABCB1 (0.64) ABCB1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL14947395 0.73 ABCB1 (0.70) ABCB1TNFRSF1AABCG2KRASTUBB1
SCHEMBL12484518 0.72 TNFRSF1A (1.00) ABCB1TNFRSF1AABCG2KRASTUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123367-A1 VINYLOGOUS CHALCONE DERIVATIVES AND THEIR MEDICAL USE MEDIZINISCHE UNIVERSITAT WIEN (AT) 2013-05-16 — — US disclosed
US-20130123367-A1 VINYLOGOUS CHALCONE DERIVATIVES AND THEIR MEDICAL USE MEDIZINISCHE UNIVERSITAT WIEN (AT) 2013-05-16 — — 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-20130123367-A1 VINYLOGOUS CHALCONE DERIVATIVES AND THEIR MEDICAL USE MALT1, VHL, ETV6 ABCB1 19/4885TNFRSF1A 2195/4885CAPN1 4720/4885

“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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