SCHEMBL1856574

SCHEMBL1856574

COC(=O)CCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 3/20 0.54
HRH3 Q9Y5N1 2/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADRA2C P18825 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
GLA P06280 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL11732584 0.98 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL2127041 0.98 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
Hydrochloric Acid SCHEMBL4924873 0.96 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL15150928 0.96 TSHR (0.54) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL28390299 0.92 PAOX (0.53) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL9856869 0.92 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL11570934 0.92 TSHR (0.58) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
Formic Acid SCHEMBL28117669 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL20179502 0.91 HRH3 (0.54) SMN1; SMN2CYP1A2MAPK1TSHRHRH3
SCHEMBL15920926 0.91 HRH3 (0.54) SMN1; SMN2CYP1A2MAPK1TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698539-A The preparation method of Buflomedil Hydrochloride 陕西启源科技发展有限责任公司 2018-02-16 CN claimed
CN-107698539-A The preparation method of Buflomedil Hydrochloride 陕西启源科技发展有限责任公司 2018-02-16 CN disclosed
CN-107698539-A The preparation method of Buflomedil Hydrochloride 陕西启源科技发展有限责任公司 2018-02-16 CN disclosed
US-8283104-B2 Sulfonate and its derivative, photosensitive acid generator, and resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-7771913-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-7655378-B2 Negative resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-02-02 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
US-20080020290-A1 Negative resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-24 US disclosed
US-20080020289-A1 Novel polymer, positive resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-24 US disclosed
US-20070231738-A1 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-7232641-B2 Polymerizable compound, polymer, positive-resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-06-19 US disclosed
US-20070111140-A1 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7189493-B2 Polymer, positive resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-20060147836-A1 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-07-06 US disclosed
US-4049653-A ANALGESICS, ANTIANXIETY AGENTS ABBOTT LABORATORIES (US) 1977-09-20 US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 US disclosed
US-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 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 (2 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 SMN1; SMN2 1693/4885CYP1A2 2584/4885MAPK1 1513/4885
US-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME DAP3, MRPS23, ASIC3 SMN1; SMN2 1484/4885CYP1A2 3322/4885MAPK1 2277/4885

“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.