SCHEMBL4892024

SCHEMBL4892024

c1ccc2c(c1)nc1ccc3ccc4occcc4c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 6/20 0.38
ELANE P08246 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
GLA P06280 3/20 0.36
MAOA P21397 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL30557325 1.00 CDK4 (0.41) CDK4CCND1ADORA2AALDH1A1KDM4E
SCHEMBL4501863 0.92 CDK4 (0.44) CDK4CCND1ADORA2AALDH1A1KDM4E
SCHEMBL7252826 0.80 ESR1 (0.37) CDK4CCND1ADORA2AALDH1A1KDM4E
SCHEMBL1859838 0.78 CDK4 (0.39) CDK4CCND1ALDH1A1KDM4EHPGD
SCHEMBL4501936 0.77 CDK4 (0.43) CDK4CCND1ADORA2AALDH1A1KDM4E
SCHEMBL29588824 0.71 MAPK10 (0.42) ADORA2AALDH1A1KDM4EHPGDELANE
SCHEMBL4495841 0.71 MAPK10 (0.42) ADORA2AALDH1A1KDM4EHPGDELANE
SCHEMBL2049719 0.71 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL10944923 0.70 ALDH1A1 (0.61) CDK4CCND1ALDH1A1KDM4EHPGD
SCHEMBL220864 0.69 CYP1A2 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341220-B Photochromic compositions with polyols and poly (anhydrides) 光学转变有限公司 2024-07-02 CN claimed
CN-114341220-B Photochromic compositions with polyols and poly (anhydrides) 光学转变有限公司 2024-07-02 CN disclosed
CN-114341220-A Photochromic compositions with polyols and poly (anhydrides) 光学转变有限公司 2022-04-12 CN disclosed
US-20220056039-A1 Indolonaphthopyrans TRANSITIONS OPTICAL, LTD. (IE) 2022-02-24 US disclosed
CN-113227259-A Indol naphthopyrans and photochromic compositions comprising same 光学转变有限公司 2021-08-06 CN disclosed
CN-113227098-A Indol naphthopyrans 光学转变有限公司 2021-08-06 CN disclosed
US-7459555-B2 Photochromic naphthopyrans RODENSTOCK GMBH (DE) 2008-12-02 US disclosed
US-20020052499-A1 Photochromic naphthopyrans OPTISCHE WERKE G. RODENSTOCK 2002-05-02 US disclosed
EP-1005464-B1 PHOTOCHROMIC NAPHTHOPYRANS RODENSTOCK OPTIK G (DE) 2002-04-17 EP disclosed
US-6342459-B1 PHOTOCHROMIC COMPOUNDS AND ARTICLES OF RESIN FOR OPTHTHALMIC LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 2002-01-29 US disclosed
EP-1005464-A1 PHOTOCHROMIC NAPHTHOPYRANS Optische Werke G. Rodenstock (DE) 2000-06-07 EP disclosed
WO-1999067234-A1 PHOTOCHROMIC NAPHTHOPYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1999-12-29 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 (2 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-20020052499-A1 Photochromic naphthopyrans BPNT1, NR2E3, BRIX1 CDK4 2293/4885CCND1 595/4885ADORA2A 3378/4885
US-20220056039-A1 Indolonaphthopyrans TPH1, TPH2, IDO1 CDK4 689/4885CCND1 132/4885ADORA2A 240/4885

“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.