SCHEMBL21607472

SCHEMBL21607472

CCOC(=O)c1cc(-c2ccc(Br)cc2OC)n(CCOC)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SMAD3 P84022 2/20 0.39
ESR1 P03372 1/20 0.39
SMPD1 P17405 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APAF1 O14727 1/20 0.38
PTGER1 P34995 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL21607802 0.91 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SMAD3ESR1SMPD1
SCHEMBL21607546 0.89 SMAD3 (0.38) ALDH1A1SMN1; SMN2SMAD3ESR1SMPD1
SCHEMBL21607427 0.89 FAAH (0.44) ALDH1A1SMN1; SMN2SMAD3KMT2AMAPT
SCHEMBL17319167 0.86 MMP2 (0.44) ALDH1A1SMN1; SMN2SMAD3ESR1KMT2A
SCHEMBL21607479 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2SMAD3KMT2AMAPT
SCHEMBL21607433 0.81 FAAH (0.44) ALDH1A1SMN1; SMN2SMAD3KMT2AMAPT
SCHEMBL21607632 0.79 RORC (0.45) SMN1; SMN2SMAD3ESR1APAF1LMNA
SCHEMBL14800388 0.78 FAAH (0.45) KMT2AMAPTTDP1
SCHEMBL21607819 0.78 FAAH (0.42) ALDH1A1SMN1; SMN2SMAD3ESR1KMT2A
SCHEMBL21607342 0.77 FAAH (0.41) ALDH1A1SMN1; SMN2SMAD3KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA ALDH1A1 801/4885SMN1; SMN2 4508/4885SMAD3 1372/4885

“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.