SCHEMBL4171219

SCHEMBL4171219

CC[C@@H](CO)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CNR1 P21554 1/20 0.48
ADRA1A P35348 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCC3 O15438 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
THRB P10828 1/20 0.43
IDO1 P14902 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
CDK2 P24941 2/20 0.42
CCNA2 P20248 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL1318063 1.00 ALDH1A1 (0.52) ALDH1A1ALOX12SIGMAR1LMNAKDM4E
SCHEMBL1848291 1.00 ALDH1A1 (0.52) ALDH1A1ALOX12SIGMAR1LMNAKDM4E
Hydrochloric Acid SCHEMBL10836397 0.98 ALDH1A1 (0.55) ALDH1A1ALOX12SIGMAR1LMNAKDM4E
Hydrochloric Acid SCHEMBL3673299 0.88 ALDH1A1 (0.63) ALDH1A1ALOX12LMNAKDM4ECNR1
SCHEMBL4441100 0.88 IDO1 (0.50) ALDH1A1ALOX12SIGMAR1TDP1SMN1; SMN2
SCHEMBL9063683 0.88 SIGMAR1 (0.55) ALDH1A1SIGMAR1KDM4ETDP1SMN1; SMN2
SCHEMBL1851333 0.85 SIGMAR1 (0.46) ALDH1A1ALOX12SIGMAR1POLBTHRB
SCHEMBL26180478 0.85 SIGMAR1 (0.46) ALDH1A1ALOX12SIGMAR1KDM4ESMN1; SMN2
SCHEMBL12138912 0.85 SIGMAR1 (0.46) ALDH1A1ALOX12SIGMAR1POLBTHRB
Mandelic Acid SCHEMBL11409235 0.85 LMNA (0.50) ALDH1A1ALOX12LMNATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 WO claimed
US-20260008787-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS INC (US) 2026-01-08 US disclosed
EP-4551577-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE Blossomhill Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790058-A Fused cyclic KRAS inhibitors for the treatment of diseases 荣山医药股份有限公司 2025-04-08 CN disclosed
WO-2024173453-A1 HETEROARYL-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed
WO-2024173514-A1 AMIDE AND ESTER-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed
US-20240252694-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. 2024-08-01 US disclosed
EP-4380561-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS Rayzebio, Inc. (US) 2024-06-12 EP disclosed
CN-118043042-A Conjugate comprising a covalent binding agent for targeting intracellular KRAS G12C proteins 瑞择生物公司 2024-05-14 CN disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2023014979-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
WO-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed
WO-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed
US-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-17 US disclosed
WO-2006009819-A1 INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTIEN ARRAY BIOPHARMA INC. (US) 2006-01-26 WO disclosed
US-20050282812-A1 Inhibitors of cholesteryl ester transfer protein ARRAY BIOPHARMA INC. 2005-12-22 US disclosed
CN-1081186-C Process for preparing 1,4,7,10-tetraazacyclododecane and its derivatives SCHERING AG (DE) 2002-03-20 CN disclosed
CN-1211975-A Process for preparing 1,4,7,10-tetraazacyclododecane and its derivatives SCHERING AG (DE) 1999-03-24 CN 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 (4 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-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS GABRA2, GABRA3, GABRB2 ALDH1A1 326/4885ALOX12 2420/4885SIGMAR1 100/4885
US-20240252694-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS KRAS, NRAS, HRAS ALDH1A1 3121/4885ALOX12 4829/4885SIGMAR1 4530/4885
US-20260008787-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE KRAS, NRAS, HRAS ALDH1A1 2043/4885ALOX12 3389/4885SIGMAR1 700/4885
US-20050282812-A1 Inhibitors of cholesteryl ester transfer protein CETP, LCAT, MTTP ALDH1A1 2949/4885ALOX12 1630/4885SIGMAR1 3720/4885

“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.