SCHEMBL8980106

SCHEMBL8980106

CC(C)(C)C(=O)CCc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.51
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP19A1 P11511 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 2/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SLC16A3 O15427 1/20 0.49
LMNA P02545 1/20 0.49
TTR P02766 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL13264694 0.91 ESR1 (0.53) CYP24A1ESR1ESR2MEN1KMT2A
SCHEMBL13543175 0.84 FFAR1 (0.51) CYP24A1KMT2AALDH1A1LMNACYP1A2
SCHEMBL11978603 0.84 CYP24A1 (0.51) CYP24A1MEN1KMT2AALDH1A1HDAC2
SCHEMBL19520425 0.83 KDM4E (0.47) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL18757276 0.83 ESR1 (0.45) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL24111761 0.82 NR1H4 (0.53) CYP24A1CYP2C19LMNAPOLBGAA
SCHEMBL454778 0.82 PLAAT3 (0.51) CYP24A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27851354 0.82 CYP24A1 (0.50) CYP24A1LMNAPOLBTAAR1
SCHEMBL8153818 0.82 ALDH1A1 (0.61) CYP24A1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL12680298 0.81 CYP24A1 (0.49) CYP24A1MAPK1ALDH1A1THRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11197878-B2 Anti-inflammatory composition including novel quercetin-based compound AMOREPACIFIC CORPORATION (KR) 2021-12-14 US disclosed
US-20210145853-A1 ANTI-INFLAMMATORY COMPOSITION INCLUDING NOVEL QUERCETIN-BASED COMPOUND AMOREPACIFIC CORPORATION (KR) 2021-05-20 US disclosed
US-10975120-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2021-04-13 US disclosed
US-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-10-03 US disclosed
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 AILERON THERAPEUTICS, INC. (US) 2018-07-17 US disclosed
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. 2017-04-20 US disclosed
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG 2016-08-18 US disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 US disclosed
US-5558978-A Photoresist compositions containing copolymers having acid-labile groups and recurring units derived from either N-(hydroxymethyl)maleimide or N-(acetoxymethyl)maleimide or both OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-09-24 US disclosed
EP-0659781-A2 Copolymers of maleimide, for photoresists OCG Microelectronic Materials Inc. (US) 1995-06-28 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 (9 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-20210145853-A1 ANTI-INFLAMMATORY COMPOSITION INCLUDING NOVEL QUERCETIN-BASED COMPOUND TEAD4, TEAD3, TEAD2 CYP24A1 2227/4885ESR1 3641/4885ESR2 3091/4885
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 MCL1, BCL2L1, BCL2L11 CYP24A1 4796/4885ESR1 4154/4885ESR2 2923/4885
US-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 CYP24A1 4692/4885ESR1 3713/4885ESR2 3956/4885
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM CYP24A1 279/4885ESR1 470/4885ESR2 293/4885
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 BCL2L11, BCL2L1, BCL2L13 CYP24A1 4169/4885ESR1 2650/4885ESR2 1040/4885
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 CYP24A1 4692/4885ESR1 3713/4885ESR2 3956/4885
US-10975120-B2 Site-specific chemoenzymatic protein modifications PTMS, TGM3, TGM1 CYP24A1 4692/4885ESR1 3713/4885ESR2 3956/4885
US-11197878-B2 Anti-inflammatory composition including novel quercetin-based compound TEAD4, TEAD3, TEAD2 CYP24A1 2227/4885ESR1 3641/4885ESR2 3091/4885
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 MCL1, BCL2L1, BCL2L11 CYP24A1 4796/4885ESR1 4154/4885ESR2 2923/4885

“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.