SCHEMBL729010

SCHEMBL729010

CC(C)Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
CA12 O43570 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA2 P00918 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
KEAP1 Q14145 1/20 0.50
GAA P10253 2/20 0.47

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
SCHEMBL32575454 1.00 IDO1 (0.55) IDO1CA12CA14CA2MMP2
SCHEMBL9162775 0.86 IDO1 (0.63) IDO1CA12CA14CA2MMP2
SCHEMBL18351225 0.84 CA12 (0.53) IDO1CA12CA14CA2MMP2
SCHEMBL11336488 0.83 CA12 (0.56) CA12CA14CA2MMP2MMP9
SCHEMBL3232676 0.83 CA12 (0.51) CA12CA14CA2MMP2MMP9
SCHEMBL3725975 0.83 CA12 (0.51) CA12CA14CA2MMP2MMP9
Hydrochloric Acid SCHEMBL27787241 0.82 CA12 (0.50) CA12CA14CA2MMP2MMP9
SCHEMBL17836961 0.81 ALDH1A1 (0.65) IDO1CA12CA14CA2MMP2
SCHEMBL7567033 0.80 CA12 (0.53) CA12CA14CA2MMP2MMP9
SCHEMBL9987427 0.80 CA12 (0.49) IDO1CA12CA14CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4685176-A1 2-COMPONENT FOAMS BASED ON ACETYLACETONATE AND AMINES Henkel AG & Co. KGaA (DE) 2026-01-28 EP claimed
EP-4615585-A1 METHODS OF USING TRAZODONE TO REVERSE THE EFFECTS OF 5-HT2A RECEPTOR AGONISTS Gilgamesh Pharmaceuticals, Inc. (US) 2025-09-17 EP claimed
WO-2024102458-A1 METHODS OF USING TRAZODONE TO REVERSE THE EFFECTS OF 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-16 WO claimed
US-20160000815-A1 COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS GOSFORTH CT HOLDINGS PTY LTD (AU) 2016-01-07 US claimed
EP-1971664-B1 EMITTING MATERIALS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2015-09-09 EP claimed
US-20140142140-A1 PHARMACEUTICAL COMPOSITION FOR NEUROLOGICAL DISORDERS GOSFORTH CENTRE (HOLDINGS) PTY LTD (AU) 2014-05-22 US claimed
EP-2729216-A1 PHARMACEUTICAL COMPOSITION FOR NEUROLOGICAL DISORDERS Gosforth Centre (Holdings) Pty Ltd (AU) 2014-05-14 EP claimed
WO-2013007698-A1 PHARMACEUTICAL COMPOSITION FOR NEUROLOGICAL DISORDERS GOSFORTH CENTRE (HOLDINGS) PTY LTD (AU) 2013-01-17 WO claimed
JP-2011529923-A 2011-12-15 JP claimed
US-20110207718-A1 COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS GOSFORTH CENTRE (HOLDINGS) PTY LTD. (AU) 2011-08-25 US claimed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 US claimed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US claimed
WO-2007081179-A1 EMITTING MATERIALS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-07-19 WO claimed
EP-1802568-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-04 EP claimed
WO-2007035789-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 WO claimed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US claimed
EP-1501821-A1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG Chem, Ltd. (KR) 2005-02-02 EP claimed
CN-1556803-A Novel organic compound for electroluminescence and organic electroluminescent device using the same LG��ѧ��ʽ���� 2004-12-22 CN claimed
US-20040067387-A1 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM. LTD. (KR) 2004-04-08 US claimed
WO-2003095445-A1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG CHEM, LTD. (KR) 2003-11-20 WO 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-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin GABRE, GABRA5, GABRA6 IDO1 1850/4885CA12 1786/4885CA14 2305/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 IDO1 1850/4885CA12 1786/4885CA14 2305/4885

“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.