SCHEMBL7079218

SCHEMBL7079218

O=C(O)C1CC2CCC1(Cl)C2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL5925394 1.00 GRM2 (0.33) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL5415116 0.88 SLC1A2 (0.32) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL22941787 0.73 GRM4 (0.34) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL9141620 0.73 GRM4 (0.34) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL1029829 0.72 SLC6A12 (0.46) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL15440623 0.72 GRM4 (0.37) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL3580179 0.72 SLC1A2 (0.38) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL339517 0.72 SLC6A12 (0.46) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL76019 0.72 GRM4 (0.37) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL4452499 0.72 SLC6A12 (0.46) GRM2GRM3GRM4CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053985-B1 Resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2003-07-16 EP disclosed
EP-1053986-B1 Resist materials and compounds therefore SHINETSU CHEMICAL CO (JP) 2003-07-16 EP disclosed
US-6448420-B1 EXO-FORM 2-ALKYLBICYCLO(2.2.1) HEPTAN-2-YL ESTER USED AS A DISSOLUTION REGULATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-09-10 US disclosed
US-20020115874-A1 ACID-DECOMPOSABLE ESTER COMPOUND SUITABLE FOR USE IN RESIST MATERIAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-08-22 US disclosed
US-6413695-B1 ENANTIOMORPHS; EXPOSURE, DEVELOPMENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1053986-A1 Resist materials and compounds therefore SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-11-22 EP disclosed
EP-1053985-A1 Resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2000-11-22 EP disclosed
US-4102994-A Aliphatic amido-quaternary ammonium anti-microbial compounds COLGATE-PALMOLIVE COMPANY (US) 1978-07-25 US disclosed
US-4046873-A Alicyclic amido-quaternary ammonium anti-bacterial agents COLGATE PALMOLIVE COMPANY (US) 1977-09-06 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-20020115874-A1 ACID-DECOMPOSABLE ESTER COMPOUND SUITABLE FOR USE IN RESIST MATERIAL ELOVL1, ESR1, IDUA GRM2 595/4885GRM3 2281/4885GRM4 931/4885

“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.