SCHEMBL6498321

SCHEMBL6498321

[CH2]c1c[nH]c2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
TYR P14679 2/20 0.41
HTR1A P08908 3/20 0.40
CYP2C9 P11712 3/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CYP3A4 P08684 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL3169369 0.83 HTR2C (0.53) HTR2CHTR2AHTR2BHTR1ACYP2C9
SCHEMBL3263472 0.78 HTR2C (0.59) HTR2CHTR2AHTR2BTYRHTR1A
SCHEMBL2550995 0.75 KDM4E (0.56) HTR2CHTR2AHTR2BTYRHTR1A
SCHEMBL26181019 0.75 HTR2A (0.51) HTR2AHTR1DKDM4ELMNA
SCHEMBL4031289 0.75 GPR84 (0.58) HTR2AHTR1A
SCHEMBL18795164 0.75 GPR84 (0.58) HTR2AALDH1A1
SCHEMBL28181335 0.75 IMPDH2 (0.51) HTR2CHTR2ACYP2C19ALDH1A1HPGD
SCHEMBL15929361 0.73 HTR2C (0.50) HTR2CHTR2AHTR2BPDPK1HSP90AB1
SCHEMBL27315097 0.73 SPR (0.49) HTR7ALDH1A1HPGDKDM4EGAA
SCHEMBL2908549 0.72 HTR3E (0.52) HTR2CCYP2C9CYP1A2NFKB1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227994-A1 Decomposition inhibitor for extracellular matrix of cartilage SHIONOGI & CO., LTD. 2005-10-13 US claimed
US-20050227994-A1 Decomposition inhibitor for extracellular matrix of cartilage SHIONOGI & CO., LTD. 2005-10-13 US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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 (1 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-20050227994-A1 Decomposition inhibitor for extracellular matrix of cartilage MMP1, COL2A1, MMP13 HTR2C 873/4885HTR2A 1139/4885HTR2B 803/4885

“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.