SCHEMBL17629572

SCHEMBL17629572

O=C(OC[C@@H](O)CO)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.63
▸ ADRB1 P08588 7/20 0.63
▸ ADRB3 P13945 7/20 0.63
▸ TDP1 Q9NUW8 2/20 0.57
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MLNR O43193 1/20 0.45
▸ ABCB11 O95342 1/20 0.45

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
SCHEMBL17629569 1.00 ADRB2 (0.63) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL446204 1.00 ADRB2 (0.63) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL29613210 1.00 ADRB2 (0.63) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL12083435 0.91 ADRB2 (0.68) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL120454 0.90 ALDH1A1 (0.61) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL1031052 0.86 ADRB2 (0.53) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL24292233 0.85 ADRB2 (0.66) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL16088412 0.85 ADRB2 (0.66) ADRB2ADRB1ADRB3TDP1LMNA
Glycerin SCHEMBL22574599 0.84 TDP1 (0.63) ADRB2ADRB1ADRB3TDP1LMNA
Ethyl Salicylate SCHEMBL27636321 0.84 TSHR (0.61) ADRB2ADRB1ADRB3TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197460-B1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2022-04-20 — — EP claimed
US-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2017-10-05 — — US claimed
EP-3197460-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES Greenpharma (FR) 2017-08-02 — — EP claimed
WO-2016046456-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA (FR) 2016-03-31 — — WO claimed
EP-3197460-B1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2022-04-20 — — EP disclosed
EP-3197460-B1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2022-04-20 — — EP disclosed
US-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2017-10-05 — — US disclosed
US-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2017-10-05 — — US disclosed
US-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA SAS (FR) 2017-10-05 — — US disclosed
EP-3197460-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES Greenpharma (FR) 2017-08-02 — — EP disclosed
WO-2016046456-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA (FR) 2016-03-31 — — WO disclosed
WO-2016046456-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES GREENPHARMA (FR) 2016-03-31 — — 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-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES CCL2, CCL11, CCL5 ADRB2 2720/4885ADRB1 2665/4885ADRB3 2814/4885

“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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