SCHEMBL6204352

SCHEMBL6204352

O=C(c1ccccc1)C1(c2ccccc2)OCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 4/20 0.38
F2 P00734 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
HDAC4 P56524 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1551316 0.93 LMNA (0.40) AKR1C1NPC1RAB9ALMNAF2
SCHEMBL18790760 0.89 CES2 (0.43) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL28411324 0.83 AKR1C1 (0.42) AKR1C1LMNAALDH1A1TSHRMAPK1
SCHEMBL9800616 0.82 LMNA (0.38) AKR1C1NPC1RAB9ALMNAF2
SCHEMBL4952380 0.81 LMNA (0.35) AKR1C1NPC1RAB9ALMNAF2
SCHEMBL18790793 0.81 CES2 (0.46) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL22872468 0.81 CES2 (0.46) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL9859980 0.79 LMNA (0.39) NPC1RAB9ALMNAF2ALDH1A1
SCHEMBL18790751 0.79 TPMT (0.38) CYP2C9
SCHEMBL5496475 0.79 LMNA (0.43) AKR1C1NPC1RAB9ALMNAF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365318-B1 BENZYL MONOKETALS AND USE THEREOF MERCK PATENT GMBH (DE) 2021-01-06 EP disclosed
WO-2017067634-A1 BENZIL MONOKETALAND USE THEREOF MERCK PATENT GMBH (DE) 2017-04-27 WO disclosed
CN-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-0221010-B1 PHOTO-INITIATOR SYSTEMS FOR FREE-RADICAL POLYMERISATIONS CIBA-GEIGY AG (CH) 1989-04-26 EP disclosed
EP-0146501-B1 POLYMERIZABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-03-16 EP disclosed
EP-0104143-B1 PHOTOPOLYMERIZABLE COMPOSITIONS CONTAINING DIARYLIODOSYL SALTS CIBA-GEIGY AG (CH) 1986-10-29 EP disclosed
EP-0094914-B1 PHOTOPOLYMERISATION WITH ORGANOMETAL SALTS CIBA-GEIGY AG (CH) 1986-09-24 EP disclosed
US-4593052-A Polymerizable compositions containing diphenyliodosyl salts CIBA-GEIGY CORPORATION (US) 1986-06-03 US disclosed
EP-0146501-A2 Polymerizable compositions CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
US-4518676-A Photopolymerizable compositions containing diaryliodosyl salts CIBA GEIGY CORPORATION (US) 1985-05-21 US disclosed
EP-0104143-A1 Photopolymerizable compositions containing diaryliodosyl salts CIBA-GEIGY AG (CH) 1984-03-28 EP disclosed
EP-0094914-A2 Photopolymerisation with organometal salts CIBA-GEIGY AG (CH) 1983-11-23 EP disclosed
US-4190602-A PHOTOCHEMICAL SENSITIZERS BY REACTION OF SULFUROUS ACID ESTER OR THIONYL CHLORIDE AND A PRIMARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1980-02-26 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 AKR1C1 983/4885NPC1 4477/4885RAB9A 2092/4885

“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.