SCHEMBL11705406

SCHEMBL11705406

Cc1c(C2CCCC2)cc(O)cc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.38
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1I2 O75469 1/20 0.34
KDM4B O94953 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DOHH Q9BU89 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 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
SCHEMBL11705962 0.98 PTGDR2 (0.41) ESR1ESR2PTGDR2NUDT1BACE1
SCHEMBL1087151 0.79 KDM4E (0.49) ESR1ESR2PTGDR2NUDT1BACE1
SCHEMBL9804702 0.77 ESR1 (0.41) ESR1ESR2PTGDR2NUDT1BACE1
SCHEMBL11705384 0.77 ESR1 (0.41) ESR1ESR2PTGDR2NUDT1BACE1
SCHEMBL3436090 0.76 PTGDR2 (0.41) PTGDR2PSMB5NR1I2KDM4BCHRM1
SCHEMBL11706304 0.75 KDM4E (0.39) PTGDR2NUDT1BACE1HSP90AA1KDM4E
SCHEMBL28386966 0.75 KDM4E (0.39) PTGDR2NUDT1BACE1HSP90AA1KDM4E
SCHEMBL2219921 0.75 NUDT1 (0.42) PTGDR2NUDT1BACE1HSP90AA1KDM4E
SCHEMBL11701220 0.75 ESR1 (0.40) ESR1ESR2PTGDR2NUDT1BACE1
SCHEMBL9785240 0.75 PTGDR2 (0.41) ESR1ESR2PTGDR2NUDT1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059563-A ANTIDEGRADATION NIPPON ZEON CO. LTD. (JA) 1977-11-22 US claimed
US-4008284-A ANTIDEGRADATION NIPPON ZEON CO., LTD. (JA) 1977-02-15 US claimed
US-20200133121-A1 ONIUM SALT, NEGATIVE RESIST COMPOSITION, AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-04-30 US disclosed
US-4059563-A ANTIDEGRADATION NIPPON ZEON CO. LTD. (JA) 1977-11-22 US disclosed
US-4008284-A ANTIDEGRADATION NIPPON ZEON CO., LTD. (JA) 1977-02-15 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-20200133121-A1 ONIUM SALT, NEGATIVE RESIST COMPOSITION, AND RESIST PATTERN FORMING PROCESS SLC6A5, SLC11A2, LARP7 ESR1 1702/4885ESR2 1219/4885PTGDR2 4138/4885

“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.