SCHEMBL510548

SCHEMBL510548

CCC(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.54
AKR1C3 P42330 8/20 0.54
AKR1C2 P52895 8/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTGS1 P23219 2/20 0.51
AKR1C1 Q04828 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.46
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 1/20 0.43
ACHE P22303 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43

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
SCHEMBL7705115 1.00 ALDH1A1 (0.56) ALDH1A1POLBAKR1C3AKR1C2MEN1
Toluene SCHEMBL8901851 0.94 ALDH1A1 (0.59) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL1574429 0.91 AKR1C3 (0.58) ALDH1A1POLBAKR1C3AKR1C2PTGS1
Toluene SCHEMBL28260671 0.88 ALDH1A1 (0.61) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL22035957 0.85 POLB (0.56) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL4269790 0.84 POLB (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL9872058 0.84 ALDH1A1 (0.53) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL25248841 0.83 POLB (0.54) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL31558611 0.83 ALDH1A1 (0.51) ALDH1A1POLBAKR1C3AKR1C2MEN1
SCHEMBL819392 0.83 LMNA (0.61) ALDH1A1AKR1C3AKR1C2PTGS1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3133903-A None JP disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
EP-4559918-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2025-05-28 EP disclosed
EP-3673906-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2025-05-14 EP disclosed
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
EP-4387950-A1 USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT BASF SE (DE) 2024-06-26 EP disclosed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed
WO-2023021063-A1 USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT BASF SE (DE) 2023-02-23 WO disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
CN-113573742-A Novel tumor antigen binding agents and uses thereof 同位素技术慕尼黑公司 2021-10-29 CN disclosed
US-4054572-A Hexahydro pyridine [1,2d] dibenza [b,f] (1,4)-diazepines AKZONA INCORPORATED (US) 1977-10-18 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4016161-A Amino-substituted 1,2,3,4,10,146-hexahydro-pyridino[1,2-a]dibenzo[c,f]azepines AKZONA INCORPORATED (US) 1977-04-05 US disclosed
US-4013682-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1977-03-22 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-3978126-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1976-08-31 US disclosed
US-3972906-A Novel - 11-substituted steroids of the estrane series AKZONA INCORPORATED (US) 1976-08-03 US disclosed
US-3968124-A Process for preparing phenyl-acetic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-06 US disclosed
US-3966723-A 1,2,3,4,10,14B-Hexahydro-pyridino[1,2-a]-dibenzo[c,f]-azepine AKZONA INCORPORATED (US) 1976-06-29 US disclosed
US-3965114-A Imidazolidine derivatives AKZONA INCORPORATED (US) 1976-06-22 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 (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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 ALDH1A1 2363/4885POLB 2428/4885AKR1C3 644/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 ALDH1A1 2363/4885POLB 2428/4885AKR1C3 644/4885

“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.