SCHEMBL8158495

SCHEMBL8158495

C1=C(c2ccccc2)OCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
MAPK1 P28482 1/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 4/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL18285261 0.87
SCHEMBL20243067 0.86 FAAH (0.34) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL2123553 0.83 GPR55 (0.39) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL28148610 0.77 NOTUM (0.35) ALDH1A1KMT2ASMN1; SMN2FAAHMGLL
SCHEMBL18069699 0.76 RAB9A (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL19629453 0.73 NOTUM (0.41) ALDH1A1SMN1; SMN2MAPK1MGLLMAPT
SCHEMBL979154 0.71 CYP2C19 (0.41) ALDH1A1KMT2ACYP2C19SMN1; SMN2MAPT
SCHEMBL10525605 0.70 ITGB2 (0.39) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL25077928 0.69 LMNA (0.48) ALDH1A1KMT2ACYP2C19SMN1; SMN2MGLL
SCHEMBL23647722 0.67 ALDH1A1 (0.48) ALDH1A1KMT2AMGLLMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN claimed
CN-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN claimed
CN-116217415-A Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2023-06-06 CN claimed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN claimed
US-5763627-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkyfurans HUELS AKTIENGESELLSCHAFT (DE) 1998-06-09 US claimed
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN disclosed
CN-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
CN-116217415-A Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2023-06-06 CN disclosed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN disclosed
CN-107699917-B A kind of method of electrochemistry formated lactone 南阳师范学院 2019-02-15 CN disclosed
CN-107699917-A A kind of method of electrochemistry formated lactone 南阳师范学院 2018-02-16 CN disclosed
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2016-09-15 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
EP-0820977-B1 Process for the preparation of cyclopropylalkylketones and 4,5-dihydroalkylfurans DEGUSSA (DE) 2000-04-26 EP disclosed
US-5763627-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkyfurans HUELS AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed
EP-0820977-A1 Process for the preparation of cyclopropylalkylketones and 4,5-dihydroalkylfurans HÜLS AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed
EP-0725066-B1 Process for the production of cyclopropylalkylketones and 4,5-dihydroalkylfuranes HUELS CHEMISCHE WERKE AG (DE) 1997-07-16 EP disclosed
US-5629455-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkylfurans HUELS AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0725066-A1 Process for the production of cyclopropylalkylketones and 4,5-dihydroalkylfuranes HÜLS AKTIENGESELLSCHAFT (DE) 1996-08-07 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 (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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885ITGB2 4630/4885ICAM1 1464/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 ALDH1A1 4807/4885ITGB2 3965/4885ICAM1 3085/4885
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER RUVBL2, RUVBL1, CYP2W1 ALDH1A1 2208/4885ITGB2 1697/4885ICAM1 4305/4885

“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.