SCHEMBL95786

SCHEMBL95786

Cc1ccc(C[O])c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
TNF P01375 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
NPC1 O15118 1/20 0.42
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL168406 0.82 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL8036416 0.81 TAAR1 (0.42) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL608419 0.80 PYCR1 (0.44) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL397145 0.80 TAAR1 (0.56) TDP1TP53ALDH1A1KDM4EMEN1
SCHEMBL3299248 0.79 PYCR1 (0.47) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL6547406 0.79 TAAR1 (0.48) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL18242698 0.78 PYCR1 (0.40) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL5350848 0.77 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL11518880 0.76 HDAC3 (0.42) TP53SMN1; SMN2LMNACYP1A2
SCHEMBL17351794 0.76 P2RX7 (0.39) TAAR1HTTCYP1A2CYP2A6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 US disclosed
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-112638997-B Film and packaging container 住友化学株式会社 2023-04-28 CN disclosed
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
WO-2023013589-A1 RADIOACTIVE METAL COMPLEX AND METHOD FOR PRODUCING SAME, AND RADIOACTIVE METAL SCAVENGER 住友化学株式会社 2023-02-09 WO disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
US-4271295-A HALOGENATION STEP SHIONOGI & CO., LTD. (JP) 1981-06-02 US disclosed
US-4271296-A CEPHALOSPORINS AND DERIVATIVES SHIONOGI & CO., LTD. (JP) 1981-06-02 US disclosed
US-4220766-A FROM PENICILLINS SHIONOGI & CO., LTD. (JP) 1980-09-02 US disclosed
US-4220647-A MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 US disclosed
US-4183855-A INTERMEDIATES FOR PREPARATION OF THE BACTERICIDE, 1-OXADETHIA-CEPHALOSPORIN SHIONOGI & CO., LTD. (JP) 1980-01-15 US disclosed
US-4183928-A Haloarylmalonamidooxacephalosporins SHIONOGI AND CO., LTD. (JP) 1980-01-15 US disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US disclosed
US-3963725-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-15 US 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 (3 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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX PYCR1 2108/4885TDP1 2571/4885TP53 4508/4885
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS PNPO, PDXK, BLVRB PYCR1 166/4885TDP1 1287/4885TP53 3322/4885
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX PYCR1 2108/4885TDP1 2571/4885TP53 4508/4885

“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.