SCHEMBL823220

SCHEMBL823220

COC(=O)C1C=CCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 1/20 0.30
POLB P06746 1/20 0.30

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
Water SCHEMBL27872681 0.98 MAPT (0.37) MAPTSMN1; SMN2CHRM2CHRM4CHRM3
SCHEMBL11328517 0.94 MAPT (0.37) MAPTSMN1; SMN2CHRM2CHRM4CHRM3
SCHEMBL11359743 0.92 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL17694210 0.92 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL11359740 0.92 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL4022810 0.92 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL4022813 0.92 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL6641149 0.88
SCHEMBL15324962 0.88
SCHEMBL7723415 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111432851-B Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-06-23 CN disclosed
CN-111432851-A Use of volatile ingredients to limit or eliminate perception of malodour 弗门尼舍有限公司 2020-07-17 CN disclosed
EP-3116857-B1 CONSTRAINED TRICYCLIC SULFONAMIDES ICAHN SCHOOL MED MOUNT SINAI (US) 2019-02-06 EP disclosed
WO-2018210828-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-11-22 WO disclosed
CN-107922396-A Colony stimulating factor-1 receptor (CSF-1R) inhibitors 建新公司 2018-04-17 CN disclosed
US-9937180-B2 Constrained tricyclic sulfonamides ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-10 US disclosed
US-9937186-B2 Sulfonamides derived from tricyclyl-2-aminocycloalkanols as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-10 US disclosed
US-9937180-B2 Constrained tricyclic sulfonamides ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-10 US disclosed
US-9937180-B2 Constrained tricyclic sulfonamides ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-10 US disclosed
EP-3116860-B1 SULFONAMIDES DERIVED FROM TRICYCLYL-2-AMINOCYCLOALKANOLS AS ANTICANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2018-02-07 EP disclosed
WO-2014115078-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-07-31 WO disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 US disclosed
CN-101959872-A Method for producing epoxy compound SHOWA DENKO KK 2011-01-26 CN disclosed
US-5876898-A MULTICOLOR RECORDING OF HIGH CONTRAST MITSUBISHI PAPER MILLS LIMITED (JP) 1999-03-02 US disclosed
EP-0754564-A2 Heat sensitive recording material and recording method using the same MITSUBISHI PAPER MILLS, LTD. (JP) 1997-01-22 EP disclosed
WO-1991013616-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-09-19 WO disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4249015-A Preparation of organic acids and/or esters SHELL OIL COMPANY (US) 1981-02-03 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 MAPT 3871/4885SMN1; SMN2 4108/4885CHRM2 1701/4885

“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.