SCHEMBL4098812

SCHEMBL4098812

N#Cc1ccccc1OCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
GLA P06280 1/20 0.62
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL4302248 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL3145765 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527551 0.88 ALDH1A1 (0.49) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527542 0.87 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2KDM4EGAA
SCHEMBL11695226 0.85 ALDH1A1 (0.60) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL22357196 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL679937 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL1155048 0.83 KDM4E (0.49) ALDH1A1GLASMN1; SMN2KDM4ENPC1
SCHEMBL8707600 0.82 ALDH1A1 (0.50) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527607 0.81 SMN1; SMN2 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRTP53

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116801872-A Methods of modulating androgen receptor coacervates 上海奕拓医药科技有限责任公司 2023-09-22 CN claimed
WO-2022171163-A1 METHODS OF MODULATING ANDROGEN RECEPTOR CONDENSATES ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2022-08-18 WO claimed
CN-118269451-A Ultralight high-resilience damping and sound-absorbing cotton and production process thereof 保定跃飞新型吸音材料有限公司 2024-07-02 CN disclosed
CN-116801872-A Methods of modulating androgen receptor coacervates 上海奕拓医药科技有限责任公司 2023-09-22 CN disclosed
US-11639330-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium SHOWA DENKO K.K. (JP) 2023-05-02 US disclosed
US-11639330-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium SHOWA DENKO K.K. (JP) 2023-05-02 US disclosed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN disclosed
WO-2022171163-A1 METHODS OF MODULATING ANDROGEN RECEPTOR CONDENSATES ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2022-08-18 WO disclosed
WO-2021131961-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 昭和電工株式会社 2021-07-01 WO disclosed
US-20210188766-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM SHOWA DENKO K.K. (JP) 2021-06-24 US disclosed
US-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. 2018-06-14 US disclosed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4115409-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4029795-A 4(2' Isoquinolin-1-one)piperidines CIBA-GEIGY CORPORATION (US) 1977-06-14 US disclosed
US-4025646-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-24 US disclosed
US-4016286-A Pharmaceutical compositions containing a 1-phenoxy-2-hydroxy-3-alkynylamino-propane and their use as adrenolytics and hypotensives BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US disclosed
US-4000287-A HYPOTENSIVES, ANTIARRHYTHMIC CIBA-GEIGY CORPORATION (US) 1976-12-28 US disclosed
US-3975539-A B-ADRENERGIC BLOCKING, HYPOTENSIVE BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed
US-3961071-A CARDIOVASCULAR DISORDERS, 1-PHENOXY-2-HYDROXY-3-TERT-BUTYLAMINO PROPANES BOEHRINGER INGELHEIM GMBH (DT) 1976-06-01 US disclosed
US-3959338-A BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE BOEHRINGER INGELHEIM GMBH 1976-05-25 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 (3 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-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-11639330-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium AFF1, PHOSPHO1, CHRM1 ALDH1A1 3194/4885GLA 2717/4885TDP1 1177/4885
US-20210188766-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM AFF1, PHOSPHO1, CHRM1 ALDH1A1 3194/4885GLA 2717/4885TDP1 1177/4885

“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.