SCHEMBL545145

SCHEMBL545145

CC[CH]C(CC)CCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
CYP3A4 P08684 2/20 0.36
CA2 P00918 7/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 4/20 0.33
FDPS P14324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 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
SCHEMBL15170448 0.92 TSHR (0.50) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL27732481 0.90 TSHR (0.48) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL9208137 0.90 TSHR (0.48) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL27676179 0.89 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL28735863 0.84 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL4620077 0.83
SCHEMBL4804369 0.82 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL1634535 0.82 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL21840780 0.80 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL27891485 0.80 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114586793-B Pesticide composition and application thereof 青岛滕润翔检测评价有限公司 2024-05-03 CN claimed
CN-114586793-A Pesticide composition and application thereof 青岛滕润翔检测评价有限公司 2022-06-07 CN claimed
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US claimed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US claimed
CN-107820392-A Bacillus amyloliquefaciens RTI472 compositions and for beneficial to plant growth and treatment plant disease method FMC有限公司 2018-03-20 CN claimed
CN-104381270-B PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE 拜尔农科股份公司 2017-04-12 CN claimed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP claimed
CN-105475283-A Composition for preventing and eliminating plant diseases and method for preventing and eliminating plant diseases by applying composition MITSUI CHEMICALS AGRO INC 2016-04-13 CN claimed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP claimed
CN-103826457-A Method for cultivating sugar cane BASF SE 2014-05-28 CN claimed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US claimed
CN-103025162-A Method for cultivating sugar cane BASF SE 2013-04-03 CN claimed
CN-102802416-A Fungicidal mixtures BASF SE 2012-11-28 CN claimed
CN-102665414-A Plant disease control composition and method for controlling plant disease using same MITSUI CHEMICALS AGRO INC 2012-09-12 CN claimed
CN-102595903-A Fungicidal mixtures BASF SE 2012-07-18 CN claimed
CN-102458119-A Synergistic fungicidal mixtures BASF SE 2012-05-16 CN claimed
CN-102458124-A Fungicidal mixtures BASF SE 2012-05-16 CN claimed
CN-101119999-A 5, 6-dialkyl-7-amino-azolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said compounds BASF AG (DE) 2008-02-06 CN claimed
CN-112969688-B Fungicidal nitroaniline-substituted pyrazoles FMC公司 2024-06-04 CN disclosed
US-4268595-A METHACRYLIC ACID-ACRYLIC ESTER TERPOLYMER COPYER CO., LTD. (JP) 1981-05-19 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-10202322-B2 Resorcinol derivatives CNR1, CNR2, RCOR1 TSHR 3290/4885SMN1; SMN2 4124/4885ALDH1A1 1955/4885
US-20130209483-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 TSHR 4095/4885SMN1; SMN2 1784/4885ALDH1A1 3491/4885
US-20180170846-A1 RESORCINOL DERIVATIVES CNR1, CNR2, RCOR1 TSHR 3290/4885SMN1; SMN2 4124/4885ALDH1A1 1955/4885

“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.