SCHEMBL672472

SCHEMBL672472

O=C(Nc1ccccc1)OC#CCI

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.43
TP53 P04637 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6197081 0.77 RAB9A (0.49) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL11199465 0.74 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL961819 0.74 CYP1A2 (0.40) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL10900067 0.73 MEN1 (0.57) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL27519753 0.70 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL27872143 0.70 EPHX2 (0.42) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL677537 0.70 KMT2A (0.54) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL2244779 0.69 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL8827353 0.69 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1TSHRMEN1
SCHEMBL11321069 0.69 NPC1 (0.62) SMN1; SMN2RAB9ANPC1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113301802-B Synergistic preservative compositions, methods of making and methods of use thereof ISP投资有限公司 2023-08-25 CN claimed
US-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2023-08-03 US claimed
EP-4171531-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2023-05-03 EP claimed
CN-107613767-B Synergistic preservative composition ISP投资有限公司 2022-06-21 CN claimed
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-02-03 US claimed
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US claimed
WO-2022005930-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-01-06 WO claimed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN claimed
EP-3886582-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2021-10-06 EP claimed
CN-113301802-A Synergistic preservative compositions, methods of making and methods of using the same ISP投资有限公司 2021-08-24 CN claimed
US-20130195947-A1 BIOCIDE POWDER FORMULATION TROY TECHNOLOGY II, INC. 2013-08-01 US claimed
EP-2547208-A1 BIOCIDE POWDER FORMULATION Isp Investments Inc. (US) 2013-01-23 EP claimed
US-20120071522-A1 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2012-03-22 US claimed
WO-2012024097-A1 THERMO-STABLE, ARSENIC-FREE SYNERGISTIC BIOCIDE CONCENTRATE COMPOSITION FOR POLYMER MATRICES AND PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. (US) 2012-02-23 WO claimed
WO-2011116168-A1 BIOCIDE POWER FORMULATION ISP INVESTMENTS INC. (US) 2011-09-22 WO claimed
US-7951852-B2 Mixing a microbiocide such as iodopropynyl butyl carbamate with a dry lubricant such as calcium stearate or zinc stearate to form a free-flowing powder additive for polymer, plastic, or polymer-wood composites ISP INVESTMENTS INC. (US) 2011-05-31 US claimed
US-20060229381-A1 Free-flowing composition of a biocide and a processing additive therewith for incorporation into a polymer or plastic matrix product ISP INVESTMENTS INC. 2006-10-12 US claimed
WO-2006019517-A2 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2006-02-23 WO claimed
US-20060013833-A1 Thermal stabilization of biocides in matrix compositions processed at elevated temperatures ISP INVESTMENTS INC. 2006-01-19 US claimed
US-20060013847-A1 Thermal stabilization of IPBC biocide ISP INVESTMENTS INC. 2006-01-19 US claimed

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-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF MPO, SPOUT1, ARG1 SMN1; SMN2 3861/4885RAB9A 1895/4885NPC1 894/4885
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF HPD, EBP, TET1 SMN1; SMN2 3656/4885RAB9A 4741/4885NPC1 3614/4885
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ALAD, SCD, DHCR7 SMN1; SMN2 3041/4885RAB9A 3330/4885NPC1 3853/4885

“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.