SCHEMBL2815413

SCHEMBL2815413

Cc1ccccc1Cl.N=C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.41
AR P10275 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PLA2G7 Q13093 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CYP3A4 P08684 1/20 0.33
CXCL8 P10145 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3734203 1.00 TSHR (0.41) TSHRACHELMNAARP2RX7
Isothiocyanate SCHEMBL6156341 0.86 TSHR (0.41) TSHRACHELMNAARALDH1A1
SCHEMBL14127455 0.84
SCHEMBL12792 0.84
SCHEMBL29432874 0.84
Formaldehyde SCHEMBL28159516 0.82 TSHR (0.47) TSHRACHELMNAP2RX7ALDH1A1
O-Xylene SCHEMBL163751 0.82 TSHR (0.62) TSHRACHELMNAALDH1A1CA1
1,2-Dichlorobenzene SCHEMBL521767 0.82 TSHR (0.62) TSHRACHELMNAALDH1A1PLA2G7
Hydrochloric Acid SCHEMBL9527099 0.82
O-Xylene SCHEMBL31425598 0.82 TSHR (0.62) TSHRACHELMNAALDH1A1CA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028446-A1 ISOCYANATE COMPOSITION, MODIFIED COMPOSITION AND POLYURETHANE ELASTOMER WANHUA CHEMICAL GROUP CO., LTD. (CN) 2026-01-29 US disclosed
EP-4545582-A1 ISOCYANATE COMPOSITION, MODIFIED COMPOSITION AND POLYURETHANE ELASTOMER Wanhua Chemical Group Co., Ltd. (CN) 2025-04-30 EP disclosed
CN-115746251-A Isocyanate composition, modified composition and polyurethane elastomer 万华化学集团股份有限公司 2023-03-07 CN disclosed
CN-115160096-A Method for preparing aryl amide compound under conditions of no catalyst and no coupling agent 湖北沙洋荆氟化工科技有限公司 2022-10-11 CN disclosed
CN-110054577-B Compound containing urea and thiourea structure, synthetic method and application thereof 中国医学科学院放射医学研究所 2021-09-10 CN disclosed
CN-112111044-B Polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2021-06-29 CN disclosed
CN-112111044-A Polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2020-12-22 CN disclosed
CN-107176925-B Synthesis method of polysubstituted imidazoline-2, 4-diketone compound 湖北科技学院 2020-04-28 CN disclosed
US-9035087-B2 Process for producing polyisocyanate MITSUI CHEMICALS, INC. (JP) 2015-05-19 US disclosed
EP-2210873-B1 PROCESS FOR PRODUCING POLYISOCYANATE MITSUI CHEMICALS INC (JP) 2014-02-12 EP disclosed
US-20100249450-A1 PROCESS FOR PRODUCING POLYISOCYANATE MITSUI CHEMICALS INC. 2010-09-30 US disclosed
EP-2210873-A1 PROCESS FOR PRODUCING POLYISOCYANATE Mitsui Chemicals, Inc. (JP) 2010-07-28 EP disclosed
US-6337338-B1 INSULIN LIKE GROWTH FACTOR RECEPTOR IN MAMMALS TELIK, INC. 2002-01-08 US disclosed
WO-2000035455-A1 HETEROARYL-ARYL UREAS AS IGF-1 RECEPTOR ANTAGONISTS TELIK, INC. (US) 2000-06-22 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-20260028446-A1 ISOCYANATE COMPOSITION, MODIFIED COMPOSITION AND POLYURETHANE ELASTOMER ERCC2, IK, INCENP TSHR 4583/4885ACHE 1099/4885LMNA 589/4885

“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.