SCHEMBL414943

SCHEMBL414943

CCCC1c2c(ccc3ccccc23)Oc2ccc3ccccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
TAAR1 Q96RJ0 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL28470691 0.90 CYP1A2 (0.82) CYP1A2CYP2C19TAAR1HTR1AHTR7
SCHEMBL28473016 0.83 CYP1A2 (0.70) CYP1A2CYP2C19TAAR1HTR1AHTR7
SCHEMBL28467350 0.79 CYP1A2 (0.65) CYP1A2CYP2C19TAAR1HTR1AHTR7
SCHEMBL28475793 0.78 CYP1A2 (0.64) CYP1A2CYP2C19NPSR1CFTRGOPC
SCHEMBL416287 0.77 CYP1A2 (0.62) CYP1A2CYP2C19TAAR1HTR1AHTR7
SCHEMBL21189670 0.77 CYP1A2 (0.62) CYP1A2CYP2C19TAAR1NPSR1KMT2A
SCHEMBL18287923 0.73 CYP1A2 (0.57) CYP1A2CYP2C19TAAR1NPSR1CFTR
SCHEMBL416288 0.72 CYP1A2 (0.57) CYP1A2CYP2C19TAAR1HTR1AHTR7
SCHEMBL7179828 0.72 CYP1A2 (0.57) CYP1A2CYP2C19NPSR1MEN1KMT2A
SCHEMBL414934 0.70 CYP1A2 (0.54) CYP1A2CYP2C19TAAR1NPSR1CFTR

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-111804340-B Method for preparing dibenzoxanthene derivative by catalysis of magnetic mesoporous polymeric ionic liquid 曲阜师范大学 2022-05-27 CN disclosed
CN-111804340-A Method for preparing dibenzoxanthene derivative by catalysis of magnetic mesoporous polymeric ionic liquid 曲阜师范大学 2020-10-23 CN disclosed
US-9045587-B2 Naphthalene derivative, resist bottom layer material, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-02 US disclosed
US-9045587-B2 Naphthalene derivative, resist bottom layer material, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-02 US disclosed
US-20140363768-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-11 US disclosed
US-20140363768-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-11 US disclosed
US-8846846-B2 Naphthalene derivative, resist bottom layer material, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-30 US disclosed
US-8795955-B2 Naphthalene derivative, resist bottom layer material, resist bottom layer forming method, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-8795955-B2 Naphthalene derivative, resist bottom layer material, resist bottom layer forming method, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20120064725-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20110311920-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, RESIST BOTTOM LAYER FORMING METHOD, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD (JP) 2011-12-22 US disclosed
US-20110311920-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, RESIST BOTTOM LAYER FORMING METHOD, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD (JP) 2011-12-22 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 (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-20110311920-A1 NAPHTHALENE DERIVATIVE, RESIST BOTTOM LAYER MATERIAL, RESIST BOTTOM LAYER FORMING METHOD, AND PATTERNING PROCESS SMC1A, VCAM1, APOB CYP1A2 649/4885CYP2C19 2115/4885TAAR1 1412/4885

“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.