SCHEMBL2491973

SCHEMBL2491973

OCCNCc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.44
PDCD1 Q15116 6/20 0.43
CD274 Q9NZQ7 6/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A4 P31645 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
VSIR Q9H7M9 2/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL2494414 0.91 MPO (0.47) MPOPDCD1CD274ALDH1A1HPGD
SCHEMBL16701643 0.80 MPO (0.64) MPOALDH1A1HPGDSLC6A4PRMT5
SCHEMBL2490782 0.79 CD274 (0.47) PDCD1CD274ALDH1A1VSIR
SCHEMBL2488729 0.75 KDM4E (0.55) MPOPDCD1CD274ALDH1A1CYP3A4
SCHEMBL22513302 0.74 PDCD1LG2 (0.45) MPOCD274ALDH1A1HPGDSLC6A4
SCHEMBL20962611 0.74 ALDH1A1 (0.59) MPOALDH1A1SLC6A4CYP2D6
SCHEMBL2491941 0.73 CHRM3 (0.35) PDCD1CD274ALDH1A1
SCHEMBL1844298 0.71 PRMT5 (0.47) MPOPDCD1CD274ALDH1A1HPGD
SCHEMBL2491886 0.71 SCN8A (0.50) MPOPDCD1CD274ALDH1A1SLC6A4
SCHEMBL2493517 0.71 GBA1 (0.35) PDCD1CD274ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 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 (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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH MPO 65/4885PDCD1 3586/4885CD274 3091/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 MPO 117/4885PDCD1 3433/4885CD274 2885/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R MPO 100/4885PDCD1 3271/4885CD274 2825/4885

“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.