Sugi Predict

Sugi Predict / Compounds / SCHEMBL1985337

SCHEMBL1985337

SCHEMBL1985337

COc1ccc(OC(F)(F)F)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ERN1 O75460 2/20 0.45
▸ JUN P05412 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFE2L2 Q16236 3/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TRIM24 O15164 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ RUNX1 Q01196 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ALPL P05186 1/20 0.39

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
SCHEMBL6500895 0.88 GPR3 (0.42) TUBB1ALDH1A1KDM4EERN1NFKB1
SCHEMBL680344 0.87 ALDH1A1 (0.69) ALDH1A1TSHRKDM4ETDP1NFE2L2
SCHEMBL22231540 0.87 ALDH1A1 (0.54) TUBB1ALDH1A1TSHRKDM4ETDP1
SCHEMBL18570714 0.85 SCN10A (0.50) TUBB1ALDH1A1TSHRKDM4ETDP1
SCHEMBL16959108 0.83 CYP1A1 (0.44) JUNNFKB1NFE2L2CYP1A1CYP1B1
SCHEMBL30933721 0.83 CBFB (0.45) TUBB1ALDH1A1KDM4ETDP1
SCHEMBL8710140 0.83 BACE1 (0.43) TUBB1ALDH1A1KDM4ETDP1ERN1
SCHEMBL30902375 0.83 LMNA (0.44) TUBB1ALDH1A1KDM4EERN1L3MBTL1
SCHEMBL4939627 0.83 ALDH1A3 (0.41) TUBB1ALDH1A1KDM4EERN1CYP1A2
SCHEMBL172939 0.82 ALDH1A1 (0.71) TUBB1ALDH1A1TSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108395396-B Preparation method of chiral o-amino alcohol intermediate, antagonist and analogue thereof 复旦大学 2021-07-23 — — CN claimed
EP-1483227-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE Pfizer Products Inc. (US) 2004-12-08 — — EP claimed
US-6686507-B2 IMINATION BY REACTING WITH A NITROANILINE; ISOLATING SOLID; LIQUEFACTION AND CONVERTING BACK PFIZER INC 2004-02-03 — — US claimed
US-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde PFIZER INC. 2003-09-18 — — US claimed
WO-2003074462-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE PFIZER PRODUCTS INC. (US) 2003-09-12 — — WO claimed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 — — EP disclosed
US-12465578-B2 Substituted alpha-ethyl phenylalkylamines ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2025-11-11 — — US disclosed
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. 2024-12-12 — — US disclosed
EP-4405318-A1 SUBSTITUTED PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2024-07-31 — — EP disclosed
WO-2023049480-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE (US) 2023-03-30 — — WO disclosed
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 — — US disclosed
CN-108395396-B Preparation method of chiral o-amino alcohol intermediate, antagonist and analogue thereof 复旦大学 2021-07-23 — — CN disclosed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 — — EP disclosed
EP-0591333-A1 AZANORBORNANE DERIVATIVES. PFIZER (US) 1994-04-13 — — EP disclosed
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 — — EP disclosed
US-5294744-A Formylation process for aromatic aldehydes PFIZER INC. (US) 1994-03-15 — — US disclosed
US-5294744-A Formylation process for aromatic aldehydes PFIZER INC. (US) 1994-03-15 — — US disclosed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 — — WO disclosed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 — — WO disclosed
WO-1993000330-A2 AZANORBORNANE DERIVATIVES PFIZER INC. (US) 1993-01-07 — — WO 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-12465578-B2 Substituted alpha-ethyl phenylalkylamines PNMT, SLC18A2, SLC1A2 TUBB1 2479/4885ALDH1A1 597/4885TSHR 932/4885
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES PNMT, HTR2A, SLC18A2 TUBB1 3222/4885ALDH1A1 575/4885TSHR 1103/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 TUBB1 3746/4885ALDH1A1 2452/4885TSHR 921/4885
US-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde TH, PNMT, INMT TUBB1 398/4885ALDH1A1 1023/4885TSHR 3760/4885

“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.