SCHEMBL2981052

SCHEMBL2981052

COc1ccc(NC2=C(C)C(=O)CC2)cc1OCC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE4B Q07343 14/20 0.46
EPHA2 P29317 2/20 0.43
KDR P35968 2/20 0.43
EPHB4 P54760 2/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2970130 0.98 LMNA (0.50) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2974579 0.95 LMNA (0.52) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2981472 0.92 LMNA (0.43) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2964920 0.81 POLB (0.54) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2981332 0.81 TSHR (0.50) MEN1TSHRKMT2APDE4BEPHA2
SCHEMBL2979742 0.81 HTT (0.56) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2980274 0.80 POLB (0.53) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2973867 0.78 TSHR (0.50) MEN1TSHRKMT2APDE4BEPHA2
SCHEMBL2976136 0.78 LMNA (0.46) LMNAHTTSMN1; SMN2MEN1TSHR
SCHEMBL2976571 0.77 LMNA (0.50) LMNAHTTSMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772258-B2 Agent for treatment of allergic eye disease NIKKEN CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE NIKKEN CHEMICALS CO., LTD. 2008-12-11 US disclosed
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US disclosed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP 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-20040220227-A1 Remedies for allergic eye diseases HRH2, HRH1, HRH4 LMNA 3532/4885HTT 3272/4885SMN1; SMN2 4845/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 LMNA 4304/4885HTT 2612/4885SMN1; SMN2 4826/4885

“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.