SCHEMBL724748

SCHEMBL724748

C[CH]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.46
CA1 P00915 1/20 0.46
MGLL Q99685 1/20 0.46
CYP1A2 P05177 3/20 0.43
TAAR1 Q96RJ0 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP2C9 P11712 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC2 Q92769 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL886 0.82
SCHEMBL27551528 0.79
Ammonia Solution, Strong SCHEMBL27281579 0.79
SCHEMBL27770975 0.79
SCHEMBL9132430 0.79 CA1 (0.54) ALDH1A1TP53CA1MGLLCYP1A2
SCHEMBL15573060 0.79 CA1 (0.54) ALDH1A1TP53CA1MGLLCYP1A2
SCHEMBL1005178 0.77 MAOA (0.44) ALDH1A1TP53CA1MGLLBCL2L1
SCHEMBL9171323 0.77 CA1 (0.62) ALDH1A1TP53CA1MGLLCYP1A2
SCHEMBL2839493 0.77 ALDH1A1 (0.56) ALDH1A1TP53CA1MGLLCYP1A2
SCHEMBL76158 0.77 CA1 (0.62) ALDH1A1TP53CA1MGLLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 EP claimed
EP-0103077-A2 Substituted dipeptides, methods for their production, pharmaceutical compositions containing them, method for making such pharmaceutical compositions SCHERING CORPORATION (US) 1984-03-21 EP claimed
CN-118084596-A Method for hydrogenation functionalization of photocatalytic aryl olefin compound 山东第二医科大学 2024-05-28 CN disclosed
US-11629129-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
CN-115652343-A Method for esterifying alkyl aromatic hydrocarbon and amide by polarity reversal of benzyl radical 西南大学 2023-01-31 CN disclosed
US-20210114984-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-04-22 US disclosed
US-10289002-B2 Electron beam resist underlayer film-forming composition containing lactone-structure-containing polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
EP-0103077-A2 Substituted dipeptides, methods for their production, pharmaceutical compositions containing them, method for making such pharmaceutical compositions SCHERING CORPORATION (US) 1984-03-21 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 (4 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR ALDH1A1 652/4885TP53 3955/4885CA1 3568/4885
US-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 ALDH1A1 3738/4885TP53 388/4885CA1 1184/4885
US-20210114984-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES PRF1, CASP1, MSR1 ALDH1A1 1053/4885TP53 2943/4885CA1 1219/4885
US-11629129-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, MSR1 ALDH1A1 1053/4885TP53 2943/4885CA1 1219/4885

“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.