SCHEMBL2199544

SCHEMBL2199544

NCOB(OCN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TRPM2 O94759 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ORAI1 Q96D31 2/20 0.40
ORAI2 Q96SN7 2/20 0.40
ORAI3 Q9BRQ5 2/20 0.40
TRPV6 Q9H1D0 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL1756154 0.76 KDM4E (0.47) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL907509 0.75 TSHR (0.40) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL6987582 0.75 TSHR (0.52) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL15112393 0.75 KDM4E (0.45) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL4726793 0.75 TSHR (0.45) CYP1A2CYP3A4KDM4EMEN1TRPM2
Hydrochloric Acid SCHEMBL2526776 0.75 KMT2A (0.45) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL28425704 0.74 ACHE (0.41) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL7796509 0.71 MEN1 (0.42) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL8396426 0.71 KDM4E (0.47) CYP1A2CYP3A4KDM4EMEN1TRPM2
SCHEMBL7376855 0.71 CA4 (0.39) CYP1A2CYP3A4KDM4EMEN1TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112280227-A PVA plasticizer composition and PVA optical film 熊烈祥 2021-01-29 CN claimed
CN-111251500-B Foaming polymer particles with skin dilatancy and preparation method thereof 厦门天策材料科技有限公司 2024-10-22 CN disclosed
CN-108342049-B Physical split-phase dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-08-22 CN disclosed
CN-111253583-B Dilatant hybrid dynamic polymer and dilatant realization method thereof 厦门天策材料科技有限公司 2023-05-16 CN disclosed
CN-111040204-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-01-24 CN disclosed
CN-111040110-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2022-03-11 CN disclosed
CN-114001114-A Flexible energy absorption system with concave corner structure 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113997650-A Multilayer structure assembly with force-induced responsiveness 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113978071-A Multilayer structure assembly 翁秋梅 2022-01-28 CN disclosed
CN-113980335-A 3D printing dilatancy energy-absorbing structure and preparation method thereof 厦门天策材料科技有限公司 2022-01-28 CN disclosed
CN-111134409-A Self-adaptive clothes 翁秋梅 2020-05-12 CN disclosed
CN-111040110-A Force-induced response dynamic polymer and application thereof 翁秋梅 2020-04-21 CN disclosed
CN-111040204-A Force-induced response dynamic polymer and application thereof 翁秋梅 2020-04-21 CN disclosed
CN-111040202-A Combined hybrid dynamic polymer and application thereof 翁秋梅 2020-04-21 CN disclosed
CN-111040203-A Energy absorption method based on hybrid cross-linked dynamic polymer 翁秋梅 2020-04-21 CN disclosed
CN-107446135-B Dynamic polymer with dynamic cross-linked structure 翁秋梅 2020-04-10 CN disclosed
CN-108342049-A A kind of physics split-phase dynamic aggregation object and its application 翁秋梅 2018-07-31 CN disclosed
US-7977120-B2 Fluorescent sensors for cellular amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2011-07-12 US disclosed
US-20090011454-A1 Fluorescent Sensors for Cellular Amines The Curators of the University of Missouri Office of Technology and Special Projects (US) 2009-01-08 US disclosed
WO-2007016495-A2 FLUORESCENT SENSORS FOR CELLULAR AMINES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-02-08 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 (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-20090011454-A1 Fluorescent Sensors for Cellular Amines SLC18A1, TAAR5, MAOA CYP1A2 3097/4885CYP3A4 3352/4885KDM4E 2820/4885

“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.