SCHEMBL19700542

SCHEMBL19700542

COc1ccc(C(C)(C)Cc2ccc3cccc(C(C)(C)C)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CASR P41180 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL19832065 0.81 MMP1 (0.36) MMP1MMP9MMP13KMT2AMEN1
SCHEMBL22967806 0.79 CYP1A2 (0.52) HTR2ACYP1A2CYP2A6
SCHEMBL20802198 0.76 LMNA (0.42) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL24383957 0.75 ESR1 (0.59) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL19955147 0.74 ESR1 (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL24243100 0.72 PTGS1 (0.45) KMT2AMEN1KDM4ERAB9ALMNA
SCHEMBL18428158 0.71 MTNR1A (0.48) HTR2ACYP1A2CYP2A6HTR6
SCHEMBL9967888 0.70 CYP1A2 (0.52) KMT2AMEN1KDM4ERAB9ACYP1A2
SCHEMBL24183547 0.69 NR3C1 (0.35) NR3C1
SCHEMBL1527266 0.69 CYP1A2 (0.46) MMP1MMP9MMP13CASRHTR2A

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-10570169-B2 Conjugated antisense compounds and their use IONIS PHARMACEUTICALS, INC. (US) 2020-02-25 — — US disclosed
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS, INC. (US) 2017-12-14 — — 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 (2 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-10570169-B2 Conjugated antisense compounds and their use GNE, GALNT1, GALNT6 MMP1 3048/4885MMP9 3846/4885MMP13 2613/4885
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, GALNT1, GALNT6 MMP1 3048/4885MMP9 3846/4885MMP13 2613/4885

“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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