SCHEMBL3817682

SCHEMBL3817682

CCC(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
F2 P00734 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL6667515 0.96 ESR1 (0.53) TSHRTP53ALDH1A1LMNAESR1
SCHEMBL6669351 0.92 MAPT (0.46) TSHRTP53ALDH1A1LMNAESR1
SCHEMBL1129618 0.90 ESR1 (0.64) TSHRTP53ALDH1A1LMNAESR1
SCHEMBL21396286 0.90 PDCD1 (0.61) ALDH1A1LMNAESR1ESR2POLB
SCHEMBL9499271 0.90 NPSR1 (0.53) ALDH1A1LMNAESR1ESR2POLB
SCHEMBL18464124 0.90 PDCD1 (0.61) ALDH1A1LMNAESR1ESR2POLB
SCHEMBL9500077 0.90 ALDH1A1 (0.55) TSHRTP53ALDH1A1LMNAESR1
SCHEMBL9499131 0.89 UTS2R (0.60) ALDH1A1ESR1ESR2SLC6A4SLC6A3
SCHEMBL9498568 0.89 ALDH1A1 (0.49) ALDH1A1LMNAESR1ESR2POLB
SCHEMBL9500237 0.89 NPC1 (0.48) ALDH1A1LMNAESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107014914-A A kind of method of formula isomers and nitrobenzoyl phenyl propane compounds while Analyze & separate FCE-20124 is revived 重庆医药高等专科学校 2017-08-04 CN claimed
WO-2008014505-A2 BLENDS FOR IMPROVED SOLUBILIZATION OF ACTIVE AND FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-01-31 WO claimed
US-20240374492-A1 A SUNSCREEN COMPOSITION COMPRISING AVOBENZONE AND A METHOD FOR PHOTOSTABILIZATION ISP INVESTMENTS LLC (US) 2024-11-14 US disclosed
CN-113811287-B Low VOC multi-functional additives for improving waterborne polymer film properties 朗盛公司 2023-11-17 CN disclosed
US-20220041871-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES EMERALD KALAMA CHEMICAL, LLC (US) 2022-02-10 US disclosed
EP-3946249-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES Emerald Kalama Chemical, LLC (US) 2022-02-09 EP disclosed
CN-113069382-A Skin-activating cream 李树玲 2021-07-06 CN disclosed
WO-2020206296-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES EMERALD KALAMA CHEMICAL, LLC (US) 2020-10-08 WO disclosed
CN-108431019-A DOSING REGIMENS 阿佩利斯制药有限公司 2018-08-21 CN disclosed
CN-107014914-A A kind of method of formula isomers and nitrobenzoyl phenyl propane compounds while Analyze & separate FCE-20124 is revived 重庆医药高等专科学校 2017-08-04 CN disclosed
CN-102639494-B Sulphones and preparation and application thereof 扎夫根公司 2016-11-09 CN disclosed
EP-1802290-A4 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTIMENTS INC (US) 2009-08-19 EP disclosed
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
WO-2008014505-A2 BLENDS FOR IMPROVED SOLUBILIZATION OF ACTIVE AND FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-01-31 WO disclosed
EP-1802290-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP Investiments Inc. (US) 2007-07-04 EP disclosed
WO-2006041506-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2006-04-20 WO disclosed
US-20050152858-A1 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC. 2005-07-14 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 (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-20050152858-A1 Solubilizing agents for active or functional organic compounds MITF, TYR, MMS19 TSHR 4233/4885TP53 167/4885ALDH1A1 1259/4885

“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.