SCHEMBL402666

SCHEMBL402666

[CH2]Cc1cc(OC)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP19A1 P11511 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CALM1 P0DP23 3/20 0.44
AKR1B1 P15121 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL16958198 0.84 CYP4F2 (0.41) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL3939805 0.84 GRIN2D (0.43) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL20165013 0.84 CALM1 (0.59) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6640601 0.80 CYP19A1 (0.53) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL9491787 0.78 CYP19A1 (0.68) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL5252553 0.78 ALDH1A1 (0.65) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL3158321 0.77 ALDH1A1 (0.48) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL96112 0.77 TAAR1 (0.60)
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL88823 0.76 ALDH1A1 (0.61) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518750-B Carbazole amino alcohol compound, preparation method thereof and application of carbazole amino alcohol compound in resisting parasitic diseases 中国疾病预防控制中心寄生虫病预防控制所 2021-06-01 CN claimed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN claimed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP claimed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO claimed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1244617-B1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO MCNEIL PHARM INC (US) 2005-02-16 EP claimed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-6583179-B2 For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 ALDH1A1 223/4885CYP19A1 35/4885GRIN2D 1424/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885CYP19A1 3931/4885GRIN2D 3960/4885
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 ALDH1A1 1117/4885CYP19A1 2795/4885GRIN2D 428/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885CYP19A1 3931/4885GRIN2D 3960/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885CYP19A1 629/4885GRIN2D 642/4885

“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.