Sugi Predict

Sugi Predict / Compounds / SCHEMBL3112011

SCHEMBL3112011

SCHEMBL3112011

CC1(C)CCC[C@]2(C)[C@@H](CCO)[C@@](C)(O)CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TRPV1 Q8NER1 1/20 0.54
▸ UGT2B7 P16662 7/20 0.43
▸ TRPA1 O75762 2/20 0.41
▸ NR1H4 Q96RI1 2/20 0.38
▸ PLA2G2A P14555 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL9880617 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31139943 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8611875 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3112008 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1105231 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19958385 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27017541 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL385019 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10101191 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880760 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536349-B2 Cyclic ethers GIVAUDAN S.A. (CH) 2013-09-17 — — US claimed
US-20100274030-A1 CYCLIC ETHERS GIVAUDAN S.A. (CH) 2010-10-28 — — US claimed
EP-2178871-A2 CYCLIC ETHERS Imperial Chemical Industries Plc. (GB) 2010-04-28 — — EP claimed
WO-2009010791-A2 CYCLIC ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2009-01-22 — — WO claimed
EP-0731798-B1 PROCESS FOR PRODUCING 8ALPHA,12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KGAA (DE) 1999-01-13 — — EP claimed
EP-0731799-B1 PROCESS FOR THE PRODUCTION OF 8$g(a),12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KGAA (DE) 1998-07-15 — — EP claimed
US-5688976-A CYCLIZING DEHYDRATION OF 8,12-DIHYDOXY-13,14,15,16-TETRANORLABDANE USING ACID CHARGEDALUMINA-SILICA CATALYSTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-18 — — US claimed
US-5670670-A CYCLIZING DEHYDRATION OF 8-ALPHA,12-DIHYDROXY-13,14,15,16-TETRANORLABDANE USING ALUMINO LAYER SILICATE CATALYST HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-09-23 — — US claimed
EP-0731798-A1 PROCESS FOR PRODUCING 8ALPHA,12-OXIDO-13,14,15,16-TETRANORLABDANE Henkel Kommanditgesellschaft auf Aktien (DE) 1996-09-18 — — EP claimed
WO-1995015321-A1 PROCESS FOR PRODUCING 8ALPHA,12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-06-08 — — WO claimed
EP-0467905-B1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8$g(a),12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KGAA (DE) 1994-09-07 — — EP claimed
US-5274134-A Process for the stereoselective preparation of 8α, 12-oxido-13, 14,15, 16-tetranorlabdane HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-12-28 — — US claimed
EP-0467905-A1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8-g(a),12-OXIDO-13,14,15,16-TETRANORLABDANE. HENKEL KGAA (DE) 1992-01-29 — — EP claimed
WO-1990012793-A1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8α,12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-01 — — WO claimed
US-20250122161-A1 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE FIRMENICH & CIE (CH) 2025-04-17 — — US disclosed
EP-4344432-A1 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE Firmenich SA (CH) 2024-04-03 — — EP disclosed
WO-2023006908-A1 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE FIRMENICH SA (CH) 2023-02-02 — — WO disclosed
EP-0467905-A1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8-g(a),12-OXIDO-13,14,15,16-TETRANORLABDANE. HENKEL KGAA (DE) 1992-01-29 — — EP disclosed
WO-1990012793-A1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8α,12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-01 — — WO disclosed
WO-1990012793-A1 PROCESS FOR THE STEREO-SELECTIVE PRODUCTION OF 8α,12-OXIDO-13,14,15,16-TETRANORLABDANE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-01 — — 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 (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-20250122161-A1 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE HPD, OGDH, OXER1 ALDH1A1 157/4885CYP3A4 43/4885CYP2C9 53/4885
US-20100274030-A1 CYCLIC ETHERS TET3, TET1, DOHH ALDH1A1 1597/4885CYP3A4 281/4885CYP2C9 306/4885

“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.