SCHEMBL453359

SCHEMBL453359

CC[C](C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
ESR1 P03372 2/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
Water SCHEMBL27778678 0.97 ATM (0.50) ATMCES1CES2ESR1CYP19A1
SCHEMBL6326250 0.85 ESR1 (0.43) ATMCES1CES2ESR1CYP19A1
SCHEMBL8603422 0.80 LTA4H (0.53) LMNAMAPTSMN1; SMN2HTTHPGD
SCHEMBL3298136 0.80 CES1 (0.46) ATMCES1CES2ESR1L3MBTL1
SCHEMBL3287793 0.80 CES1 (0.48) ATMCES1CES2L3MBTL1LMNA
SCHEMBL2767155 0.79 ATM (0.48) ATMCES1CES2ESR1CYP19A1
SCHEMBL816510 0.79 CES2 (0.54) ATMCES1CES2ESR1L3MBTL1
SCHEMBL1254028 0.78 CES1 (0.44) ATMCES1CES2ESR1L3MBTL1
SCHEMBL10738836 0.77 ALDH1A1 (0.58) L3MBTL1SMN1; SMN2HPGDMEN1ALOX15
SCHEMBL3281895 0.76 L3MBTL1 (0.44) ATMCES1CES2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912953-B1 PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM LEK PHARMACEUTICALS (SI) 2016-08-17 EP claimed
CN-102264752-A Phenylalkyl-imidazole-bisphosphonate compounds 2011-11-30 CN claimed
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 EP claimed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 US claimed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2010-07-08 WO claimed
CN-100558689-C Be used to produce the method for phenol and methyl ethyl ketone SHELL OIL CO (NL) 2009-11-11 CN claimed
US-7601772-B2 Nano-composite and method thereof BRIDGESTONE CORPORATION 2009-10-13 US claimed
WO-2007149842-A2 METHOD OF PREPARING IMIDAZOLIUM SURFACTANTS BRIDGESTONE CORPORATION (JP) 2007-12-27 WO claimed
US-20070293684-A1 Method of preparing imidazolium surfactants BRIDGESTONE CORPORATION 2007-12-20 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-4968676-A PLANTS, SOILS, SEEDS BASF AKTIENGESELLSCHAFT (DE) 1990-11-06 US claimed
EP-0181293-B1 PROCESS FOR DYEING SYNTHETIC POLYAMIDE MATERIALS WITH ANTHRACHINONE REACTIVE DYES CIBA-GEIGY AG (CH) 1990-10-24 EP claimed
EP-0181292-B1 PROCESS FOR THE CONTINUOUS TRICHROMATIC DYEING OF SYNTHETIC POLYAMIDE MATERIALS CIBA-GEIGY AG (CH) 1990-07-25 EP claimed
US-4897425-A Fungicidal cyclohexylamines BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
US-4871761-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US claimed
US-4693727-A Process for dyeing synthetic polyamide materials with fibre-reactive anthraquinone dyes CIBA-GEIGY CORPORATION (US) 1987-09-15 US claimed
US-4652269-A Process for the continuous trichromatic dyeing of synthetic polyamide materials: including a blue anthraquinone reactive dye CIBA-GEIGY CORPORATION (US) 1987-03-24 US claimed
EP-0125093-A1 Diaz(ep)ine bis(N-amidinoamidine) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed

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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 ATM 2226/4885CES1 1209/4885CES2 4201/4885
US-20070293684-A1 Method of preparing imidazolium surfactants SMARCC2, SMARCC1, ITPR3 ATM 1122/4885CES1 3093/4885CES2 2583/4885

“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.