SCHEMBL21607802

SCHEMBL21607802

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM1A O60341 1/20 0.39
SMAD3 P84022 2/20 0.39
APAF1 O14727 1/20 0.39
PTGER1 P34995 1/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 1/20 0.38
MARS1 P56192 1/20 0.38
SMPD1 P17405 1/20 0.37
ELANE P08246 1/20 0.37
NR1H2 P55055 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
SCHEMBL21607472 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL21607427 0.90 FAAH (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL17319167 0.87 MMP2 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL21607479 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL21607589 0.82 KDM1A (0.38) ALDH1A1SMN1; SMN2KDM1ASMAD3APAF1
SCHEMBL21607433 0.81 FAAH (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTSMAD3
SCHEMBL21607546 0.80 SMAD3 (0.38) ALDH1A1SMN1; SMN2KMT2AKDM1ASMAD3
SCHEMBL14800388 0.79 FAAH (0.45) KMT2AMAPTTDP1HTTNR1H2
SCHEMBL21607819 0.79 FAAH (0.42) ALDH1A1SMN1; SMN2KMT2AKDM1ASMAD3
SCHEMBL21607406 0.78 RORC (0.42) ALDH1A1MAPTKDM1ASMAD3APAF1

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 3 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
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 4508/4885KMT2A 1864/4885

“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.