SCHEMBL649656

SCHEMBL649656

CC1(C)OC[C@@H](CCO)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL368709 1.00 CA2 (0.44) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL418942 1.00 CA2 (0.44) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4929770 0.88 CA2 (0.42) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL929572 0.88 CA2 (0.42) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL1243925 0.88 CA2 (0.42) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL7154999 0.86 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL18817541 0.86 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL714194 0.86 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL20707235 0.86 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL21409717 0.84 CA2 (0.40) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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 192 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
EP-3287129-B1 3-HYDROXYDECANOIC ACID AND/OR HYDROXYDECANOIC ACID FOR USE IN MUCOSAL IMMUNOSTIMULATION YAMADA BEE CO INC (JP) 2025-08-06 EP disclosed
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-06-08 US disclosed
CN-107530305-B Mucosal immune activator 株式会社山田养蜂场本社 2021-06-04 CN disclosed
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-09-17 US disclosed
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 WO disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP disclosed
EP-0891358-A1 OXAZOLIDIN-2-ONE DERIVATIVES, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-20 EP disclosed
CN-1202167-A Excitatory amino acid derivatives LILLY CO ELI (US) 1998-12-16 CN disclosed
WO-1997013768-A1 OXAZOLIDIN-2-ONE DERIVATIVES, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-04-17 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 (8 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-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CA2 2703/4885ALDH1A1 4077/4885NPSR1 4261/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX CA2 1189/4885ALDH1A1 1848/4885NPSR1 4103/4885
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 CA2 4531/4885ALDH1A1 2715/4885NPSR1 2166/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CA2 2104/4885ALDH1A1 1217/4885NPSR1 287/4885
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity NR4A3, CCR3, NCOA3 CA2 3429/4885ALDH1A1 4179/4885NPSR1 651/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CA2 1676/4885ALDH1A1 1386/4885NPSR1 167/4885
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885

“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.