SCHEMBL19762350

SCHEMBL19762350

CCCCOC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ESR1 P03372 8/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NR1H2 P55055 1/20 0.53
▸ RNASEL Q05823 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
Isopropylbenzene SCHEMBL28857702 0.87 LMNA (0.63) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL111861 0.86 L3MBTL1 (0.64) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL23786271 0.85 ALDH1A1 (0.56) CYP1A2TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL641761 0.84 CYP4F2 (0.54) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL7189257 0.84 L3MBTL1 (0.62) CYP1A2CYP2C19TSHRLMNACYP2C9
Lithium SCHEMBL30876327 0.84 L3MBTL1 (0.62) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL19762353 0.84 SMN1; SMN2 (0.59) TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL29281756 0.83 CYP1A2 (0.50) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL6057202 0.83 LMNA (0.66) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL10456206 0.82 L3MBTL1 (0.56) CYP1A2CYP2C19TSHRLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 — — US disclosed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 — — US disclosed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 — — 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 (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-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES CBR3, TPD52L2, TNS4 CYP1A2 651/4885CYP2C19 1015/4885TSHR 2780/4885
US-10005787-B2 Highly photo-stable bis-triazole fluorophores CBR3, TPD52L2, TNS4 CYP1A2 651/4885CYP2C19 1015/4885TSHR 2780/4885

“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.

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