SCHEMBL21806709

SCHEMBL21806709

Cc1cc(C=O)c2c(c1OCc1ccccc1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 3/20 0.40
HPD P32754 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ERN1 O75460 1/20 0.39
PTPN1 P18031 1/20 0.39
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL647870 0.89 BRD4 (0.41) BRD4MAOBMAOAHPDTDP1
SCHEMBL21806683 0.83 PTPN1 (0.42) BRD4MAOBHPDPTGER1PTGER4
SCHEMBL25877949 0.80 PTPN1 (0.45) MAOBMAOATDP1PTGER1PTGER4
SCHEMBL30777453 0.80 CD274 (0.46)
SCHEMBL21367498 0.80 CD274 (0.46)
SCHEMBL5396862 0.80 THRB (0.44)
SCHEMBL20607402 0.78 POLB (0.43) MAOBMAOALMNAPOLBGAA
SCHEMBL25877421 0.78 MAOA (0.42) MAOBMAOATDP1PTGER4PTGER3
SCHEMBL25817126 0.77 PTPN1 (0.45) MAOBMAOATDP1PTGER1PTGER4
SCHEMBL25877526 0.77 PTPN1 (0.48) MAOBMAOATDP1PTGER1PTGER4

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-11560357-B2 Methods of producing pyrazole compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2023-01-24 US disclosed
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2022-02-03 US disclosed
EP-3853209-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2021-07-28 EP disclosed
CN-113166069-A Process for producing pyrazole compound 托伦特药物有限公司 2021-07-23 CN disclosed
WO-2020058945-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2020-03-26 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 (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-11560357-B2 Methods of producing pyrazole compounds TPO, TSHR, PDXK BRD4 665/4885MAOB 1075/4885MAOA 661/4885
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TPO, TSHR, PDXK BRD4 665/4885MAOB 1075/4885MAOA 661/4885

“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.