SCHEMBL12057431

SCHEMBL12057431

CCCCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCC[N+](C)(C)C)c4)c4ccc([nH]4)c(-c4cccc(OCCC[N+](C)(C)C)c4)c4nc(c(-c5cccc(OCCC[N+](C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TERT O14746 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MLNR O43193 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
Hydrochloric Acid SCHEMBL584953 0.99 CYP1A2 (0.40) TSHRPPARGPPARACYP1A2CYP19A1
SCHEMBL584884 0.92 TSHR (0.47) TSHRPPARGPPARACYP1A2CYP19A1
SCHEMBL12633103 0.91 MLNR (0.38) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL14806865 0.91 TSHR (0.41) TSHRPPARGPPARACYP1A2CYP19A1
SCHEMBL27976875 0.90 TSHR (0.41) TSHRPPARGPPARACYP1A2CYP19A1
SCHEMBL27976881 0.90 TSHR (0.41) TSHRPPARGPPARACYP1A2CYP19A1
Zinc Ion SCHEMBL27976882 0.90 TSHR (0.41) TSHRPPARGPPARACYP1A2CYP19A1
Bromide SCHEMBL14806853 0.89 TSHR (0.40) TSHRPPARGPPARACYP1A2CYP19A1
Bromide SCHEMBL14806851 0.89 TSHR (0.40) TSHRPPARGPPARACYP1A2CYP19A1
SCHEMBL6843058 0.88 CYP1A2 (0.48) TSHRCYP1A2CYP19A1CYP2C9CYP2C19

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 TSHR 3362/4885PPARG 1962/4885PPARA 2213/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TSHR 2764/4885PPARG 930/4885PPARA 1768/4885

“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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