SCHEMBL452773

SCHEMBL452773

Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.73
ALDH1A1 P00352 1/20 0.73
KIF11 P52732 3/20 0.57
TSHR P16473 2/20 0.48
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 4/20 0.40
AR P10275 1/20 0.40
EPHX2 P34913 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PTPN5 P54829 1/20 0.38
CYP11B1 P15538 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
SCHEMBL5838778 0.88 KIF11 (0.62) CYP2A6ALDH1A1KIF11TSHRCA12
SCHEMBL27329500 0.85 CYP2A6 (1.00) CYP2A6ALDH1A1KIF11TSHRBCHE
SCHEMBL46818 0.85
P-Xylene SCHEMBL3926102 0.85 CYP2A6 (1.00) CYP2A6ALDH1A1KIF11TSHRBCHE
SCHEMBL28089251 0.83 CYP2A6 (0.94) CYP2A6ALDH1A1KIF11TSHRBCHE
SCHEMBL17943228 0.83 CYP2A6 (0.67) CYP2A6ALDH1A1KIF11TSHRBCHE
SCHEMBL30522137 0.81 CYP2A6 (0.64) CYP2A6ALDH1A1KIF11TSHRBCHE
Cyanide SCHEMBL6561699 0.80 CYP2A6 (0.89) CYP2A6ALDH1A1KIF11TSHRBCHE
SCHEMBL11878908 0.80 TSHR (0.71) ALDH1A1KIF11TSHRACHECA2
SCHEMBL24817397 0.79 CYP2A6 (0.61) CYP2A6ALDH1A1KIF11TSHRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 US disclosed
US-8278439-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 US disclosed
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S 2007-03-08 US disclosed
US-7148361-B2 For the production of solar cells and molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2006-12-12 US disclosed
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 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 (6 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-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO CYP2A6 1097/4885ALDH1A1 1570/4885KIF11 2365/4885

“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.