SCHEMBL2534345

SCHEMBL2534345

O=C(O)Cc1ccccc1C1=C2C=CC(=N2)C(c2ccccc2CC(=O)O)=C2C=CC(=N2)C(c2ccccc2CC(=O)O)=C2C=CC(=N2)C(c2ccccc2CC(=O)O)=C2C=CC1=N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.41
▸ CXCL8 P10145 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ BCAT2 O15382 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ UGT1A9 O60656 1/20 0.35

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
SCHEMBL8865575 0.79 TSHR (0.47) TDP1CYP1A2MAPTPTGS2PTGS1
SCHEMBL935295 0.77 FABP3 (0.44) KDM4EMAPTALDH1A1CYP2C9
SCHEMBL7827157 0.76 AKR1B1 (0.67) AKR1B1TDP1CXCL8KDM4ECYP1A2
SCHEMBL3298860 0.76 PDCD1 (0.44) ALDH1A1KMT2A
SCHEMBL6688847 0.75 PTGS1 (0.39) AKR1B1KDM4ECYP1A2MAPTPTGS1
SCHEMBL498541 0.72 ALDH1A1 (0.40) TDP1KDM4EMAPTALDH1A1TTR
SCHEMBL538512 0.71 KMT2A (0.60) AKR1B1TDP1PTGS2PTGER1PTGER4
SCHEMBL29410826 0.70 AKR1B1 (0.76) AKR1B1TDP1CXCL8KDM4ECYP1A2
SCHEMBL30359 0.70 AKR1B1 (0.76) AKR1B1TDP1CXCL8KDM4ECYP1A2
SCHEMBL29512995 0.70 KMT2A (0.58) AKR1B1TDP1PTGS2PTGER1PTGER4

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-9670217-B2 Process for preparing chlorins and their pharmaceutical uses UNIVERSIDADE DE COIMBRA (PT) 2017-06-06 — — US disclosed
EP-2346874-B1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES UNIV DE COIMBRA (PT) 2013-12-04 — — EP disclosed
US-20110250143-A1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES UNIVERSIDADE DE COIMBRA (PT) 2011-10-13 — — 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-20110250143-A1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES CD68, HMBS, MKI67 AKR1B1 2630/4885TDP1 1731/4885CXCL8 2758/4885

“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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