SCHEMBL896509

SCHEMBL896509

CCCCCN(CCCCC)N=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DNM1 Q05193 4/20 0.43
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 1/20 0.39
THRB P10828 1/20 0.37
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
GGPS1 O95749 3/20 0.32
GBA1 P04062 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL23477341 0.97 TSHR (0.46) TSHRDNM1CA12CA1CA9
SCHEMBL11554162 0.97 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL11416179 0.97 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL10793051 0.97 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL606730 0.92 TSHR (0.50) TSHRDNM1CA12CA1CA9
SCHEMBL4562415 0.90 TSHR (0.57) TSHRDNM1CA12CA1CA9
SCHEMBL10792995 0.86 TSHR (0.46) TSHRDNM1CA12CA1CA9
SCHEMBL870314 0.84 SMN1; SMN2 (0.46) TSHRDNM1CA12CA1CA9
SCHEMBL3341604 0.81
SCHEMBL15630544 0.80 ALDH1A1 (0.43) TSHRCA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051365-B1 ANAEROBICALLY CURING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-01-09 EP claimed
US-4197226-A Water-soluble coating composition NIPPON OIL CO., LTD. (JP) 1980-04-08 US claimed
US-4171308-A ADDUCT OF A BUTADIENE POLYMER AND AN A,B-UNSATURATED CARBOXY ACID COMPOUND, NEUTRALIZED NIPPON OIL CO. LTD. (JP) 1979-10-16 US claimed
US-3952023-A Method for preparing adduct of butadiene polymer or copolymer and α, β-ethylenically unsaturated dicarboxylic acid compound NIPPON OIL COMPANY LTD. (JA) 1976-04-20 US claimed
US-20230057675-A1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE VALSARTAN HARMAN FINOCHEM LIMITED (IN) 2023-02-23 US disclosed
US-20140263096-A1 PROCESS FOR CHEMICAL DESTRUCTION OF COMPOUNDS FROM AMINE-BASED CARBON CAPTURE SINVENT AS (NO) 2014-09-18 US disclosed
US-8793078-B2 Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2014-07-29 US disclosed
EP-2720779-A1 PROCESS FOR CHEMICAL DESTRUCTION OF COMPOUNDS FROM AMINE-BASED CARBON CAPTURE Sinvent AS (NO) 2014-04-23 EP disclosed
WO-2012171973-A1 PROCESS FOR CHEMICAL DESTRUCTION OF COMPOUNDS FROM AMINE-BASED CARBON CAPTURE SINVENT AS (NO) 2012-12-20 WO disclosed
EP-2535100-A1 Process for chemical destruction of compounds from amine-based carbon capture Sinvent AS (NO) 2012-12-19 EP disclosed
US-20120084012-A1 METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2012-04-05 US disclosed
US-20110213558-A1 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2011-09-01 US disclosed
US-4196113-A ADDUCT OF A BUTADIENE POLYMER AND AN A,B-ACID, A 1,2-DIHYDROQUINOLINE GELATING INHIBITOR, A HYDROPHILIC SOLVENT, A NEUTRALIZER NIPPON OIL CO., LTD. (JP) 1980-04-01 US disclosed
US-4176109-A CORROSION RESISTANCE, IMPACT RESISTANCE, ADHESIONN; ADDUCT OF BUTAC SOLVENT, NEUTRALIZER NIPPON OIL CO., LTD. (JP) 1979-11-27 US disclosed
US-4175068-A ADDUCT OF BUTADIENE AND UNSATURATED DICARBOXYLIC ACID, NEUTRALIZER NIPPON OIL CO., LTD. (JP) 1979-11-20 US disclosed
US-4171308-A ADDUCT OF A BUTADIENE POLYMER AND AN A,B-UNSATURATED CARBOXY ACID COMPOUND, NEUTRALIZED NIPPON OIL CO. LTD. (JP) 1979-10-16 US disclosed
US-4145501-A ADDUCT OF A LOW MOLECULAR WEIGHT BUTADIENE POLYMER AND AN UNSATURATED DICARBOXYLIC ACID COMPOUND, CORROSION RESISTANT, ADHESION, IMPACT RESISTANT NIPPON OIL CO., LTD. (JP) 1979-03-20 US disclosed
US-3996004-A MEASURING NITRATE AND NITRITE COMPOUND CONTENT IN A SAMPLE THERMO ELECTRON CORPORATION (US) 1976-12-07 US disclosed
US-3996003-A MEASURING THE N-NITROSO COMPOUND CONTENT OF A SAMPLE THERMO ELECTRON CORPORATION (US) 1976-12-07 US disclosed
US-3952023-A Method for preparing adduct of butadiene polymer or copolymer and α, β-ethylenically unsaturated dicarboxylic acid compound NIPPON OIL COMPANY LTD. (JA) 1976-04-20 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-20230057675-A1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE VALSARTAN REN, AGT, ACE TSHR 3715/4885DNM1 1397/4885CA12 3822/4885

“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.