Sugi Predict

Sugi Predict / Compounds / SCHEMBL2758348

SCHEMBL2758348

SCHEMBL2758348

COc1cc2c(cc1F)C1CC[C@@]3(C)C(CC[C@@H]3C)C1CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.60
▸ CYP1B1 Q16678 2/20 0.60
▸ HSD17B10 Q99714 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP19A1 P11511 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ THPO P40225 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ SHBG P04278 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ BLM P54132 1/20 0.57

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
SCHEMBL14070831 0.95 HSD17B10 (0.60) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL2758333 0.85 CYP1A1 (0.59) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL4827192 0.84 HSD17B10 (0.60) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL14311225 0.84 CYP1A2 (0.80) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL3430113 0.84 CYP1A2 (0.80) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL14070624 0.84 HSD17B10 (0.60) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL14070834 0.84 CYP19A1 (0.51) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL14208972 0.82 CYP19A1 (0.58) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL14070775 0.81 HSD17B10 (0.57) CYP1A1CYP1B1HSD17B10LMNACYP1A2
SCHEMBL4212435 0.81 STS (0.80) CYP1A1CYP1B1HSD17B10LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 — — US disclosed
US-8546578-B2 Iodonium Cyclophanes for SECURE arene functionalization NUTECH VENTURES (US) 2013-10-01 — — US disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 — — US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 — — US disclosed
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 — — 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 (3 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC CYP1A1 529/4885CYP1B1 656/4885HSD17B10 4580/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC CYP1A1 578/4885CYP1B1 622/4885HSD17B10 4499/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC CYP1A1 529/4885CYP1B1 656/4885HSD17B10 4580/4885

“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.