SCHEMBL1866116

SCHEMBL1866116

O=C(OC[C@@H](O)CO)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
ADRB2 P07550 10/20 0.64
ADRB1 P08588 10/20 0.64
ADRB3 P13945 10/20 0.64
PRKCA P17252 1/20 0.59
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
SLC1A5 Q15758 1/20 0.49
TSHR P16473 1/20 0.47
F2 P00734 1/20 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
SCHEMBL3391 1.00 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL1866113 1.00 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL20515564 0.98 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL136510 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL7688676 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL28388934 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL9956241 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Acetic Acid SCHEMBL28698833 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL7144537 0.91 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL295042 0.90 ALDH1A1 (0.78) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 US 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-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 US disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668503-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035899-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-02-21 US disclosed
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 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
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 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
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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 (7 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-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 647/4885ADRB2 4332/4885ADRB1 3562/4885
US-20170281653-A1 DERMOCOSMETIC OR PHARMACEUTICAL USE OF A COMPOSITION CONTAINING AT LEAST ONE INHIBITOR OF CERTAIN CHEMOKINES CCL2, CCL11, CCL5 ALDH1A1 1163/4885ADRB2 2720/4885ADRB1 2665/4885
US-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 ALDH1A1 973/4885ADRB2 3375/4885ADRB1 2429/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 ALDH1A1 647/4885ADRB2 4332/4885ADRB1 3562/4885
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF ALDH1A1 4252/4885ADRB2 367/4885ADRB1 226/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 647/4885ADRB2 4332/4885ADRB1 3562/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 647/4885ADRB2 4332/4885ADRB1 3562/4885

“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.