SCHEMBL9902243

SCHEMBL9902243

CCCCCCCCCC[n+]1cc[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RAD52 P43351 4/20 0.41
HSP90AA1 P07900 3/20 0.41
MAPK1 P28482 2/20 0.41
RGS12 O14924 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
SCHEMBL2328683 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5090775 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL29726515 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL9935730 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL363480 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5086772 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL1137199 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5287538 1.00 HTT (0.46) HTTKMT2AMEN1MAPTTP53
Bromide SCHEMBL17027655 0.98 HTT (0.44) HTTKMT2AMEN1MAPTTP53
Bromide SCHEMBL193259 0.98 HTT (0.44) HTTKMT2AMEN1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790052-B Water purification composition for clarifying grey water 联合利华知识产权控股有限公司 2022-02-01 CN claimed
US-10806140-B2 Antimicrobial compound PHYSICAL SCIENCES, INC. (US) 2020-10-20 US claimed
US-20190313641-A1 ANTIMICROBIAL COMPOUND PHYSICAL SCIENCES, INC. 2019-10-17 US claimed
EP-3105348-A1 METHODS OF NUCLEIC ACID CAPTURE Zymo Research Corporation (US) 2016-12-21 EP claimed
WO-2015120447-A1 METHODS OF NUCLEIC ACID CAPTURE ZYMO RESEARCH CORPORATION (US) 2015-08-13 WO claimed
WO-2014001078-A1 WATER CLARIFICATION COMPOSITION AND PROCESS UNILEVER N.V. (NL) 2014-01-03 WO claimed
EP-2655265-A1 WATER CLARIFICATION COMPOSITION AND PROCESS Unilever NV (NL) 2013-10-30 EP claimed
EP-2655263-A1 WATER CLARIFICATION COMPOSITION AND PROCESS Unilever NV (NL) 2013-10-30 EP claimed
EP-2655264-A1 WATER CLARIFICATION COMPOSITION AND PROCESS Unilever NV (NL) 2013-10-30 EP claimed
WO-2012084621-A1 WATER CLARIFICATION COMPOSITION AND PROCESS UNILEVER NV (NL) 2012-06-28 WO claimed
WO-2012084622-A1 WATER CLARIFICATION COMPOSITION AND PROCESS UNILEVER NV (NL) 2012-06-28 WO claimed
WO-2012084623-A1 WATER CLARIFICATION COMPOSITION AND PROCESS UNILEVER NV (NL) 2012-06-28 WO claimed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US claimed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO claimed
US-11571376-B2 Aqueous antimicrobial composition ARXADA AG (CH) 2023-02-07 US disclosed
CN-109790052-B Water purification composition for clarifying grey water 联合利华知识产权控股有限公司 2022-02-01 CN disclosed
US-10806140-B2 Antimicrobial compound PHYSICAL SCIENCES, INC. (US) 2020-10-20 US disclosed
WO-2012084623-A1 WATER CLARIFICATION COMPOSITION AND PROCESS UNILEVER NV (NL) 2012-06-28 WO disclosed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US disclosed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO 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-20190313641-A1 ANTIMICROBIAL COMPOUND NOD2, FPR1, NOD1 HTT 4737/4885KMT2A 3689/4885MEN1 1023/4885
US-10806140-B2 Antimicrobial compound FPR1, NOD1, NOS1 HTT 4709/4885KMT2A 4000/4885MEN1 778/4885

“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.