SCHEMBL16217721

SCHEMBL16217721

CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)Cl)cc3)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.60
CYP1A2 P05177 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CXCR1 P25024 9/20 0.55
FAAH O00519 1/20 0.53
RARB P10826 3/20 0.50
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7403884 0.90 RARB (0.64) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL903875 0.90 SMPD1 (0.61) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2353533 0.90 RARB (0.64) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL17906114 0.89 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL5148937 0.89 RARB (0.63) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243181 0.89 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL5147869 0.89 SMPD1 (0.63) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243188 0.89 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243204 0.89 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2354881 0.89 RARB (0.67) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19

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-20160264628-A1 PREPARATION OF MICAFUNGIN INTERMEDIATES SANDOZ AG (CH) 2016-09-15 US disclosed
EP-2763971-B1 PREPARATION OF MICAFUNGIN INTERMEDIATES SANDOZ AG (CH) 2016-06-08 EP disclosed
US-20140329989-A1 PREPARATION OF MICAFUNGIN INTERMEDIATES SANDOZ AG (CH) 2014-11-06 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-20160264628-A1 PREPARATION OF MICAFUNGIN INTERMEDIATES DPM1, ERG28, MAN2B1 SMPD1 571/4885CYP1A2 513/4885CYP19A1 2804/4885
US-20140329989-A1 PREPARATION OF MICAFUNGIN INTERMEDIATES DPM1, ERG28, MAN2B1 SMPD1 571/4885CYP1A2 513/4885CYP19A1 2804/4885

“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.