SCHEMBL9200850

SCHEMBL9200850

c1ccc(-c2ccc(-c3cccnc3)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 14/20 0.66
CYP2C19 P33261 8/20 0.66
CYP2C9 P11712 8/20 0.66
CYP3A4 P08684 7/20 0.66
CYP2E1 P05181 6/20 0.66
CYP2B6 P20813 6/20 0.66
CYP2D6 P10635 6/20 0.66
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL29854440 0.93 CYP2A6 (0.73) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL28601516 0.84 CYP2A6 (0.58) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL9199257 0.82 NOTUM (0.64) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL13515161 0.82 CYP2A6 (0.59) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL21230125 0.81 KDR (0.62) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL434197 0.81 CYP2A6 (0.63) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL498650 0.81 HSD17B1 (0.65) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL23032900 0.80 APP (0.51) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL23004810 0.80 APP (0.51) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL18194004 0.80 APP (0.51) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906227-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS Fermenta Biotech Limited (IN) 2021-11-10 EP claimed
EP-3906247-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS Fermenta Biotech Limited (IN) 2021-11-10 EP claimed
WO-2021005618-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS FERMENTA BIOTECH LIMITED (IN) 2021-01-14 WO claimed
WO-2020230169-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS FERMENTA BIOTECH LIMITED (IN) 2020-11-19 WO claimed
US-12358871-B2 Photochemical synthesis of vitamin D3 using sensitizers FERMENTA BIOTECH LIMITED (IN) 2025-07-15 US disclosed
US-20220372065-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS FERMENTA BIOTECH LIMITED (IN) 2022-11-24 US disclosed
US-20220298106-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS FERMENTA BIOTECH LIMITED (IN) 2022-09-22 US disclosed
EP-3906247-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS Fermenta Biotech Limited (IN) 2021-11-10 EP disclosed
EP-3906227-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS Fermenta Biotech Limited (IN) 2021-11-10 EP disclosed
WO-2021005618-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS FERMENTA BIOTECH LIMITED (IN) 2021-01-14 WO disclosed
WO-2020230169-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS FERMENTA BIOTECH LIMITED (IN) 2020-11-19 WO disclosed
EP-0454204-B1 Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer DUPHAR INT RES (NL) 1995-06-28 EP disclosed
US-5252191-A Method for the photochemical isomerization of organic compounds under the influence of a photosensitizer DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-10-12 US disclosed
EP-0454204-A2 Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-10-30 EP disclosed
US-4999436-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-03-12 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 (3 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-20220372065-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS CYP2R1, CYP46A1, CYP24A1 CYP2A6 171/4885CYP2C19 334/4885CYP2C9 190/4885
US-12358871-B2 Photochemical synthesis of vitamin D3 using sensitizers CYP2R1, CYP24A1, VDR CYP2A6 94/4885CYP2C19 110/4885CYP2C9 132/4885
US-20220298106-A1 IMPROVED PHOTOCHEMICAL SYNTHESIS OF VITAMIN D3 USING SENSITIZERS CYP2R1, CYP24A1, CYP27B1 CYP2A6 83/4885CYP2C19 105/4885CYP2C9 113/4885

“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.