SCHEMBL12057455

SCHEMBL12057455

CCCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCCCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCCCCC[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ MLNR O43193 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAOA P21397 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
SCHEMBL12057454 1.00 TERT (0.43) TERTENPP2TOP1MLNRNR1I2
Hydrochloric Acid SCHEMBL588418 0.99 TERT (0.44) TERTENPP2TOP1MLNRNR1I2
Hydrochloric Acid SCHEMBL2199193 0.99 TERT (0.44) TERTENPP2TOP1MLNRNR1I2
SCHEMBL12428034 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057441 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057448 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057440 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057400 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057450 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057426 0.98 TERT (0.43) TERTENPP2TOP1ABCG2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US disclosed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — 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-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX TERT 732/4885ENPP2 1479/4885TOP1 495/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TERT 2287/4885ENPP2 314/4885TOP1 889/4885

“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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