SCHEMBL1247034

SCHEMBL1247034

O=C(c1ccccc1Cc1ccccc1)c1ccccc1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
NFKB1 P19838 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CAPN1 P07384 1/20 0.51
PTPN1 P18031 4/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 1/20 0.49
PTPN2 P17706 1/20 0.49

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
SCHEMBL6272312 0.92 TSHR (0.62) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25563177 0.91 TSHR (0.59) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23003 0.87 TSHR (0.79) TSHRCYP2C9ALDH1A1HIF1ACAPN1
Butanedione SCHEMBL11340962 0.85 TSHR (0.56) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28370887 0.85 TSHR (0.76) TSHRCYP2C9ALDH1A1HIF1ACAPN1
Ammonia Solution, Strong SCHEMBL27527756 0.85 TSHR (0.76) TSHRCYP2C9ALDH1A1HIF1ACAPN1
SCHEMBL11753259 0.85 TSHR (0.59) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7505288 0.85 TSHR (0.55) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22611874 0.85 TSHR (0.58) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9018905 0.84 TSHR (0.54) TSHRCYP1A2CYP2D6CYP2C9CYP2C19

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed
EP-2289877-B1 Organic light emitting device containing polycyclic heteroaryl compounds SAMSUNG DISPLAY CO LTD (KR) 2014-09-24 EP disclosed
US-8344365-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-01-01 US disclosed
US-8263974-B2 2012-09-11 US disclosed
EP-2289877-A1 Organic light emitting device containing polycyclic heteroaryl compounds Samsung Mobile Display Co., Ltd. (KR) 2011-03-02 EP disclosed
US-20110037060-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2011-02-17 US disclosed
US-20070293600-A1 Polycarbonate resin composition and medical appliances comprising thereof MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2007-12-20 US disclosed
EP-1829927-A1 POLYCARBONATE RESIN COMPOSITION AND MEDICAL INSTRUMENT COMPRISING THE SAME Mitsubishi Engineering-Plastics Corporation (JP) 2007-09-05 EP disclosed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US disclosed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed
EP-0326249-A2 Polymerizable compositions comprising Mannich bases and diaryliodonium photoinitiators. MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-02 EP disclosed
US-4791045-A COATINGS; GRAPHIC ARTS; INCREASED PHOTOSENSITIVITY FOR ADDITION POLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-13 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-20110037060-A1 ORGANIC LIGHT EMITTING DEVICE TRPC1, TRPC4, TRPC3 TSHR 4447/4885CYP1A2 216/4885CYP2D6 739/4885

“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.