SCHEMBL20573131

SCHEMBL20573131

CCOC(=O)CC(C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
FFAR1 O14842 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
SCHEMBL563306 0.89 LTB4R (0.54) NPC1RAB9AHPGDLTB4RLTB4R2
SCHEMBL23027267 0.89 LTB4R (0.54) NPC1RAB9AHPGDLTB4RLTB4R2
SCHEMBL13572924 0.89 LTB4R (0.54) NPC1RAB9AHPGDLTB4RLTB4R2
SCHEMBL11139346 0.89 PTGS1 (0.57) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL11509927 0.87 NPSR1 (0.47) HPGDLTB4RLTB4R2FFAR1ALDH1A1
SCHEMBL13140159 0.84 FFAR1 (0.64) LTB4RLTB4R2FFAR1ALDH1A1ACACB
SCHEMBL11482170 0.83 ACACB (0.54) LTB4RLTB4R2FFAR1ACACBACACA
SCHEMBL13573006 0.83 ALOX15 (0.55) RAB9AHPGDLTB4RLTB4R2ALDH1A1
SCHEMBL16509661 0.83 ALOX15 (0.55) RAB9AHPGDLTB4RLTB4R2ALDH1A1
SCHEMBL12430380 0.83 ALOX15 (0.55) RAB9AHPGDLTB4RLTB4R2ALDH1A1

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
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
US-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-02 US disclosed
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-01-17 US disclosed
EP-3409672-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2018-12-05 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-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BTK, SYK, JAK1 NPC1 4165/4885RAB9A 2292/4885HPGD 2252/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 NPC1 4165/4885RAB9A 2292/4885HPGD 2252/4885

“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.